SCHEMBL690659

SCHEMBL690659

Cc1cccc2c(CCN)c[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 1.00
MAPT P10636 1/20 0.97
SMN1; SMN2 Q16637 1/20 0.97
NPSR1 Q6W5P4 1/20 0.97
MPO P05164 5/20 0.68
SLC6A4 P31645 5/20 0.68
SOS2 Q07890 1/20 0.62
HTR1D P28221 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
CTSK P43235 1/20 0.54
HTR6 P50406 1/20 0.54
CYP2A13 Q16696 1/20 0.54

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
Ethane SCHEMBL26617453 0.98 HTR2A (0.97) HTR2AMAPTSMN1; SMN2NPSR1MPO
Iodide SCHEMBL27094895 0.98 HTR2A (0.97) HTR2AMAPTSMN1; SMN2NPSR1MPO
Hydrochloric Acid SCHEMBL31109030 0.98 MAPT (1.00) HTR2AMAPTSMN1; SMN2NPSR1MPO
Hydrochloric Acid SCHEMBL7818408 0.98 MAPT (1.00) HTR2AMAPTSMN1; SMN2NPSR1MPO
Cyanide SCHEMBL28688618 0.95 HTR2A (0.91) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL8055335 0.84 HTR2A (0.73) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL4803628 0.83 HTR2A (0.71) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL27911678 0.82 HTR2A (0.69) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL13715289 0.81 HTR2A (0.69) HTR2AMAPTSMN1; SMN2NPSR1MPO
SCHEMBL1968447 0.81 MPO (1.00) HTR2AMAPTSMN1; SMN2NPSR1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500412-A Penamine A alkaloid structure simplification compound and application thereof 中国人民解放军空军军医大学 2021-03-16 CN claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP claimed
US-3930948-A ENZYMATIC METHOD FOR PRODUCING AROMATIC ETHYLAMINES AJINOMOTO CO., INC. (JA) 1976-01-06 US claimed
WO-2024040158-A3 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-03-28 WO disclosed
WO-2024040158-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-02-22 WO disclosed
CN-115850269-A Tetrahydro-beta-carboline compound and preparation method and application thereof 南京工业大学 2023-03-28 CN disclosed
CN-115785091-A Method for catalytically synthesizing tetrahydro-beta-carboline compound by utilizing PNP type pincerlike manganese catalyst 邵秀兰 2023-03-14 CN disclosed
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
WO-2023278403-A2 CRYSTALLINE HYDROCHLORIDE SALTS OF SUBSTITUTED TRYPTAMINES CAAMTECH, INC. (US) 2023-01-05 WO disclosed
EP-1392641-A1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-03-03 EP disclosed
EP-1385493-A1 SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2004-02-04 EP disclosed
WO-2002090317-A1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-11-14 WO disclosed
WO-2002089783-A1 SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2002-11-14 WO disclosed
US-4978669-A ALTERING MACRONUTRIENT PREFERENCE NEUREX CORPORATION (US) 1990-12-18 US disclosed
US-4565870-A Process for the preparation of a salt of 1-(γ-halopropyl)-1,2,3,4-β-carbolines BASF AKTIENGESELLSCHAFT (DE) 1986-01-21 US disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 HTR2A 798/4885MAPT 3693/4885SMN1; SMN2 4525/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 HTR2A 43/4885MAPT 1460/4885SMN1; SMN2 1159/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 HTR2A 3374/4885MAPT 1187/4885SMN1; SMN2 3777/4885

“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.