SCHEMBL1877934

SCHEMBL1877934

Nc1ccc(CCN2CCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MBTD1 Q05BQ5 1/20 0.68
L3MBTL3 Q96JM7 1/20 0.68
SIGMAR1 Q99720 4/20 0.65
SLC6A3 Q01959 1/20 0.64
ALDH1A1 P00352 1/20 0.62
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GFER P55789 1/20 0.52

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
SCHEMBL2761916 0.98 HRH3 (0.71) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL2762024 0.98 HRH3 (0.71) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
Hydrochloric Acid SCHEMBL9034274 0.96 HRH3 (0.69) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
Hydrochloric Acid SCHEMBL916318 0.96 HRH3 (0.69) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL5651768 0.96 SIGMAR1 (0.64) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
Hydrochloric Acid SCHEMBL6965669 0.86 SIGMAR1 (0.68) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL4991238 0.85 HRH1 (0.70) HRH3SIGMAR1SLC6A3ALDH1A1
SCHEMBL11027036 0.84 SIGMAR1 (0.60) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL1509554 0.84 LMNA (0.70) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
Hydrochloric Acid SCHEMBL9995060 0.83 HRH1 (0.68) HRH3SIGMAR1SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 EP claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
EP-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 EP disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
CN-109641878-A DIPROVOCIM: a new class of effective TLR agonist 斯克里普斯研究学院 2019-04-16 CN disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 WO disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 HRH3 22/4885L3MBTL1 2106/4885MBTD1 4520/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK HRH3 1043/4885L3MBTL1 2409/4885MBTD1 1391/4885

“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.