SCHEMBL3860591

SCHEMBL3860591

CNc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.69
NCF1 P14598 1/20 0.65
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 4/20 0.63
HRH4 Q9H3N8 1/20 0.62
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL12038517 1.00 HRH3 (0.69) HRH3NCF1ALDH1A1KDM4EHRH4
SCHEMBL18403966 0.98 NCF1 (0.67) HRH3NCF1ALDH1A1KDM4EHRH4
SCHEMBL20649086 0.84 L3MBTL3 (0.58) HRH3NCF1ALDH1A1KDM4EHRH4
SCHEMBL4277270 0.83 HRH3 (1.00) HRH3NCF1ALDH1A1KDM4EHRH4
SCHEMBL19241878 0.83 HRH3 (0.59) HRH3NCF1MEN1KMT2ASMN1; SMN2
SCHEMBL19986930 0.83 ALDH1A1 (0.65) HRH3NCF1ALDH1A1KDM4EMEN1
SCHEMBL3338493 0.83 LMNA (0.62) HRH3NCF1ALDH1A1KDM4E
SCHEMBL21238989 0.81 POLB (0.66) NCF1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6571942 0.81 HRH3 (0.64) HRH3NCF1ALDH1A1KDM4EHRH4
SCHEMBL20684919 0.81 SIGMAR1 (0.59) HRH3NCF1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285872-B Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-05-17 CN disclosed
CN-111285872-A Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2020-06-16 CN disclosed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US disclosed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
EP-0823906-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-07-09 EP disclosed
EP-0850236-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-07-04 EP disclosed
US-5981520-A USEFUL FOR TREATING ASTHMA, BRONCHOSPASM, ALLERGIES, ANXIETY, COUGHING OR PAIN SCHERING CORPORATION (US) 1999-11-09 US disclosed
US-5869488-A Piperazino derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1999-02-09 US disclosed
US-5795894-A TREATMENT OF ASTHMA AND BRONCHOSPASM SCHERING CORPORATION (US) 1998-08-18 US disclosed
EP-0850236-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-07-01 EP disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1997008166-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-03-06 WO disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 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 (1 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-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 HRH3 2185/4885NCF1 2086/4885ALDH1A1 4151/4885

“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.