SCHEMBL3483188

SCHEMBL3483188

COc1ccccc1N1[CH]CNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.61
HTR3A P46098 4/20 0.61
DRD3 P35462 2/20 0.61
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
ADRB1 P08588 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTR6 P50406 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
HTR7 P34969 4/20 0.51
HTR1A P08908 2/20 0.47
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTR2B P41595 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL3951003 0.83 SLC6A2 (0.43) DRD2HTR3ADRD3HTR3EHTR3B
SCHEMBL7524539 0.83 ALDH1A1 (0.48) DRD2HTR3ADRD3HTR3EHTR3B
SCHEMBL3482910 0.80 HTR3A (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2209185 0.78 ADRB1 (0.58) DRD2HTR3ADRD3HTR3EHTR3B
SCHEMBL379 0.76 HTR3A (1.00) DRD2HTR3ADRD3HTR3EHTR3B
SCHEMBL6366499 0.76 HTR3A (1.00) DRD2HTR3ADRD3HTR3EHTR3B
SCHEMBL29396943 0.76 HTR3A (1.00) DRD2HTR3ADRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL246416 0.75 LMNA (1.00) DRD2HTR3ADRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL6602545 0.75 LMNA (1.00) DRD2HTR3ADRD3HTR3EHTR3B
Piperazine SCHEMBL28843777 0.75 HTR3A (0.96) DRD2HTR3ADRD3HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019196720-A1 ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-10-17 WO claimed
US-20050245511-A1 Novel compounds that inhibit tryptase activity MORPHOCHEM AG 2005-11-03 US claimed
EP-1206444-B1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2003-11-12 EP claimed
US-20020137687-A1 Novel compounds that inhibit tryptase activity MORPHOCHEM AG (DE) 2002-09-26 US claimed
EP-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 EP claimed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 WO claimed
WO-1982001186-A1 NOVEL BENZOXAZOLINONES,SUBSTITUTED IN THE 6-POSITION BY AN AMINOALCOHOL CHAIN OR AMINO-KETONE CHAIN,THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL PREPARATIONS BUSCH N 1982-04-15 WO claimed
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP disclosed
WO-2008140197-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO disclosed
US-20050245511-A1 Novel compounds that inhibit tryptase activity MORPHOCHEM AG 2005-11-03 US disclosed
EP-1206444-B1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2003-11-12 EP disclosed
US-20020137687-A1 Novel compounds that inhibit tryptase activity MORPHOCHEM AG (DE) 2002-09-26 US disclosed
US-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 US disclosed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO disclosed
CN-1040434-C Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1998-10-28 CN disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed
US-4353904-A TREATMENT OF HYPERTONIA BASF AKTIENGESELLSCHAFT (DE) 1982-10-12 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-20020137687-A1 Novel compounds that inhibit tryptase activity TPSAB1, TPSB2, CMA1 DRD2 2301/4885HTR3A 89/4885DRD3 2114/4885
US-20050245511-A1 Novel compounds that inhibit tryptase activity TPSB2, TPSAB1, CMA1 DRD2 2192/4885HTR3A 84/4885DRD3 2215/4885
US-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 DRD2 2877/4885HTR3A 2296/4885DRD3 3353/4885

“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.