SCHEMBL316519

SCHEMBL316519

Cc1[c]cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
FCGR1A P12314 1/20 0.39
NPSR1 Q6W5P4 4/20 0.38
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NCOA1 Q15788 2/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38
PAX8 Q06710 2/20 0.38
MITF O75030 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4909016 0.83 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1908255 0.81 NPC1 (0.49) RAB9ANPC1ALDH1A1CYP1A2POLB
SCHEMBL1906253 0.80 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1900876 0.80 CYP2A6 (0.45) ALDH1A1MAPTHTT
SCHEMBL1908196 0.79 NR4A3 (0.41) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1902318 0.78 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1902421 0.78 FAAH (0.42) ALDH1A1SMN1; SMN2CYP1A2POLBMAPT
SCHEMBL1907231 0.77 CYP2C9 (0.40) NPC1ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL316018 0.77 KMT2A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1906114 0.77 CYP1A2 (0.47) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN claimed
WO-2019113359-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2019-06-13 WO claimed
US-9738623-B2 Curcumin analogs THE GENERAL HOSPITAL CORPORATION (US) 2017-08-22 US claimed
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP claimed
US-8222418-B2 Piperidines and related compounds for the treatment of dementia Merck Sharp + Dohme Corp. (US) 2012-07-17 US claimed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US claimed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP claimed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP claimed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP claimed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US claimed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US claimed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US claimed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 RAB9A 2400/4885NPC1 1553/4885ALDH1A1 700/4885
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 RAB9A 2507/4885NPC1 425/4885ALDH1A1 509/4885
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA RAB9A 1984/4885NPC1 498/4885ALDH1A1 343/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB RAB9A 2476/4885NPC1 355/4885ALDH1A1 583/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 RAB9A 2401/4885NPC1 1528/4885ALDH1A1 682/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 RAB9A 2401/4885NPC1 1528/4885ALDH1A1 682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.