SCHEMBL2102005

SCHEMBL2102005

O=c1[nH]c(-c2ccccc2)cn1C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
DRD4 P21917 1/20 0.64
DRD3 P35462 1/20 0.64
CALCRL Q16602 6/20 0.45
TNKS O95271 1/20 0.45
CCR5 P51681 1/20 0.44
KCNH2 Q12809 1/20 0.44
RAMP1 O60894 2/20 0.43
NSD3 Q9BZ95 1/20 0.42
HTR6 P50406 1/20 0.42
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP3A7 P24462 2/20 0.39
CYP2C19 P33261 2/20 0.39
PDK4 Q16654 2/20 0.39
CYP3A43 Q9HB55 2/20 0.39

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
Hydrochloric Acid SCHEMBL5551325 1.00 DRD2 (0.64) DRD2DRD4DRD3CALCRLTNKS
Hydrochloric Acid SCHEMBL2273497 1.00 DRD2 (0.64) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL3962522 0.97 DRD2 (0.61) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL14417156 0.92 DRD2 (0.62) DRD2DRD4DRD3CALCRLTNKS
Trifluoroacetic Acid SCHEMBL3962102 0.90 DRD2 (0.54) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL3247769 0.85 DRD2 (0.48) DRD2DRD4DRD3CALCRLCA12
SCHEMBL3253448 0.85 DRD2 (0.48) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL17803212 0.85 DRD2 (0.48) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL3962540 0.84 DRD2 (0.47) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL3959127 0.84 FGR (0.48) DRD2DRD4DRD3CALCRLTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
CN-107428744-A Novel heterocyclic compounds and its application in medicine and cosmetics 盖尔德马研究及发展公司 2017-12-01 CN disclosed
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands BEST DESMOND J 2006-03-09 US disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US disclosed
EP-1554260-A1 ARYLOXYALKYLAMINE DERIVATIVES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
WO-2004037800-A1 ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
EP-1163239-B1 MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-28 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-6313097-B1 TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-06 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (7 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-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands HRH3, HTR6, HTR4 DRD2 128/4885DRD4 242/4885DRD3 183/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 DRD2 719/4885DRD4 1480/4885DRD3 855/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 DRD2 198/4885DRD4 125/4885DRD3 168/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA DRD2 2821/4885DRD4 4305/4885DRD3 3332/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS DRD2 130/4885DRD4 86/4885DRD3 106/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR DRD2 620/4885DRD4 1290/4885DRD3 724/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 DRD2 198/4885DRD4 125/4885DRD3 168/4885

“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.