SCHEMBL2792154

SCHEMBL2792154

COc1ccnc(N2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.55
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
OGA O60502 1/20 0.47
ACHE P22303 3/20 0.47
NCF1 P14598 2/20 0.46
HTR2C P28335 1/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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 SCHEMBL5368905 0.98 ALDH1A1 (0.54) ADRB1ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL28106498 0.85 OGA (0.50) OGAACHEHCRTR1HCRTR2
SCHEMBL5258581 0.84 ADRB1 (0.52) ADRB1ALDH1A1KDM4EACHEROCK2
SCHEMBL20443370 0.84 ADRB1 (0.52) ADRB1ALDH1A1KDM4EACHEROCK2
SCHEMBL28222348 0.83 OGA (0.49) OGAACHEHCRTR1HCRTR2
SCHEMBL3557386 0.82 OGA (0.48) ADRB1OGAHCRTR1HCRTR2
SCHEMBL28019839 0.82 OGA (0.51) ALDH1A1OGAACHEHRH3HTR3A
SCHEMBL30230144 0.82 OGA (0.51) ALDH1A1OGAACHEHRH3HTR3A
SCHEMBL30423191 0.82 ADRB1 (0.50) ADRB1ALDH1A1KDM4EACHEROCK2
SCHEMBL5988646 0.80 HTR2C (0.54) ADRB1ALDH1A1KDM4ECHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851435-B2 PTGR2 inhibitors and their use NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-12-26 US disclosed
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE NATIONAL TAIWAN UNIVERSITY (TW) 2023-09-07 US disclosed
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO disclosed
EP-2029571-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-04 EP disclosed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed
EP-1327630-B1 NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION ESTEVE LABOR DR (ES) 2007-12-12 EP disclosed
US-7300937-B2 Derivatives of cyano-aryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines, their preparation and application as medication LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-27 US disclosed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP disclosed
EP-1006110-A1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-06-07 EP disclosed
US-5977106-A 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives PIERRE FABRE MEDICAMENT (FR) 1999-11-02 US disclosed
EP-0794949-B1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PF MEDICAMENT (FR) 1998-07-29 EP disclosed
EP-0794949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-09-17 EP disclosed
WO-1996016949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-06-06 WO disclosed
EP-0376633-B1 Benzoxazepine derivatives SUNTORY LTD (JP) 1994-10-12 EP disclosed
US-5071845-A Psychotropic or anxyiolytic agent SUNTORY LIMITED (JP) 1991-12-10 US disclosed
EP-0376633-A2 Benzoxazepine derivatives SUNTORY LIMITED (JP) 1990-07-04 EP 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 (4 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 ADRB1 198/4885ALDH1A1 3104/4885KDM4E 1411/4885
US-11851435-B2 PTGR2 inhibitors and their use PTGFR, PTGIR, PTGDR2 ADRB1 128/4885ALDH1A1 1177/4885KDM4E 4506/4885
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PAH, HMBS, P4HA1 ADRB1 447/4885ALDH1A1 507/4885KDM4E 1326/4885
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE PTGFR, PTGIR, PTGDR2 ADRB1 128/4885ALDH1A1 1177/4885KDM4E 4506/4885

“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.