SCHEMBL170305

SCHEMBL170305

NCC(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
EPHX1 P07099 2/20 0.46
IDO1 P14902 1/20 0.45
OPRK1 P41145 2/20 0.45
OPRD1 P41143 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 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
SCHEMBL21835602 1.00 SIGMAR1 (0.55) SIGMAR1EPHX1IDO1OPRK1OPRD1
SCHEMBL10797644 1.00 SIGMAR1 (0.55) SIGMAR1EPHX1IDO1OPRK1OPRD1
SCHEMBL8588435 0.91 SIGMAR1 (0.51) SIGMAR1IDO1OPRK1OPRD1
SCHEMBL8585890 0.90 DPP7 (0.53) SIGMAR1
SCHEMBL28380207 0.86 SIGMAR1 (0.50) SIGMAR1
SCHEMBL8586529 0.84 MC4R (0.50) SIGMAR1
SCHEMBL8588407 0.84 LTA4H (0.47) CYP3A4
SCHEMBL14495877 0.82 SIGMAR1 (0.44) SIGMAR1IDO1CYP3A4MAPT
SCHEMBL4672917 0.82 SIGMAR1 (0.58) SIGMAR1
SCHEMBL8525894 0.82 SIGMAR1 (0.58) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538096-B1 TREATMENT OF CNS DISEASES WITH SGC STIMULATORS TISENTO THERAPEUTICS INC (US) 2024-02-28 EP disclosed
US-11897887-B2 sGC stimulators TISENTO THERAPEUTICS INC. (US) 2024-02-13 US disclosed
CN-111712247-B sGC stimulators 塞科里昂医疗股份有限公司 2024-02-09 CN disclosed
US-20230381153-A1 TREATMENT OF CNS DISEASES WITH sGC STIMULATORS TISENTO THERAPEUTICS INC. 2023-11-30 US disclosed
EP-3589636-B1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
US-11690828-B2 Treatment of CNS diseases with sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20230174477-A1 METHODS FOR SYNTHESIS OF THE TRICYCLIC PROSTAGLANDIN D2 METABOLITE METHYL ESTER PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 CN disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-2203422-A1 PHENYLPYRROLIDINE COMPOUNDS Ferrer Internacional, S.A. (ES) 2010-07-07 EP disclosed
EP-2178486-A2 PACKAGING KIT FOR STATINS AND COMPOSITIONS THEREOF Ranbaxy Laboratories Limited (IN) 2010-04-28 EP disclosed
WO-2009053441-A1 PHENYLPYRROLIDINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed
WO-2009053443-A2 INDANE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed
WO-2009053444-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 WO disclosed
US-20090071855-A1 PACKAGING FOR AMORPHOUS STATINS AND COMPOSITIONS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2009-03-19 US disclosed
WO-2009024889-A2 PHARMACEUTICAL COMPOSITION COMPRISING A HMG-COA REDUCTASE INHIBITOR AND EZETIMIBE RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 WO disclosed
WO-2009019668-A2 PACKAGING KIT FOR STATINS AND COMPOSITIONS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2009-02-12 WO disclosed
EP-1905424-A2 Pharmaceutical composition comprising stabilized statin particles Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
US-20070202159-A1 PHARMACEUTICAL COMPOSITION COMPRISING STABILIZED STATIN PARTICLES RANBAXY LABORATORIES LIMITED (IN) 2007-08-30 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 (5 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-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT SIGMAR1 2110/4885EPHX1 788/4885IDO1 199/4885
US-11690828-B2 Treatment of CNS diseases with sGC stimulators GUCY1A2, GUCY1B2, PDE2A SIGMAR1 2389/4885EPHX1 2561/4885IDO1 2624/4885
US-11897887-B2 sGC stimulators GMPS, GUCY1A2, PDE2A SIGMAR1 2156/4885EPHX1 1696/4885IDO1 4220/4885
US-20230381153-A1 TREATMENT OF CNS DISEASES WITH sGC STIMULATORS GUCY1A2, GUCY1B2, PDE2A SIGMAR1 2389/4885EPHX1 2561/4885IDO1 2624/4885
US-20230174477-A1 METHODS FOR SYNTHESIS OF THE TRICYCLIC PROSTAGLANDIN D2 METABOLITE METHYL ESTER PTGES2, PTGDR2, PTGES SIGMAR1 3075/4885EPHX1 248/4885IDO1 2658/4885

“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.