SCHEMBL1030637

SCHEMBL1030637

COc1ccccc1N1CCN(C=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.67
DRD3 P35462 3/20 0.67
CYP2C19 P33261 2/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
ADRB1 P08588 1/20 0.60
HTR3A P46098 1/20 0.60
HTR6 P50406 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
AKR1C3 P42330 1/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.57
GFER P55789 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56

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
SCHEMBL29786225 1.00 DRD2 (0.67) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL9670399 0.84 DRD2 (0.69) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL27829788 0.81 AKR1C3 (0.83) DRD2DRD3CYP2C19AKR1C3LMNA
SCHEMBL1193917 0.81 DRD2 (0.64) DRD2DRD3MAPTLMNAADRA1D
SCHEMBL327835 0.80 DRD2 (1.00) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL27573785 0.80 DRD2 (0.63) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3165674 0.80 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL30407688 0.80 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
Hydrochloric Acid SCHEMBL8576226 0.79 DRD2 (0.96) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3399759 0.79 DRD2 (0.71) DRD2DRD3CYP2C19HTR3EHTR3B

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN claimed
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP claimed
EP-2150527-A2 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2010-02-10 EP claimed
WO-2008114275-A2 ANTHRANILIC ACID DERIVATIVES AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-25 WO claimed
CN-111377846-B Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2022-05-24 CN disclosed
CN-111377846-A Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2020-07-07 CN disclosed
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN disclosed
CN-102112145-B Inhibition of neuroendocrine disorders SYNTAXIN LTD 2014-07-30 CN disclosed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed
CN-102112145-A Inhibition of neuroendocrine disorders SYNTAXIN LTD 2011-06-29 CN disclosed
CN-102083451-A Inhibition of cancer SYNTAXIN LTD 2011-06-01 CN disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
WO-2005021521-A1 PREPARATION OF 1-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-3-(2,6-DIOXOPIPERIDIN-1-YL) PROPANE HYDROCHLORIDE RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO disclosed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 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 (2 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS DRD2 187/4885DRD3 160/4885CYP2C19 1489/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 DRD2 148/4885DRD3 213/4885CYP2C19 2206/4885

“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.