SCHEMBL5201995

SCHEMBL5201995

CC(C)(C#N)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
CYP19A1 P11511 6/20 0.38
UGT1A4 P22310 1/20 0.38
PDE4D Q08499 1/20 0.38
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 2/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
AKT1 P31749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL6563317 0.82 KIF11 (0.41) KIF11CYP19A1UGT1A4PDE4DRAB9A
Acetonitrile SCHEMBL2291653 0.76 KIF11 (0.58) KIF11USP2RAB9AMAPTKDM4E
SCHEMBL793480 0.76 KIF11 (0.48) KIF11KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL3847927 0.76 KIF11 (0.41) KIF11CYP19A1USP2RAB9AMAPT
SCHEMBL25898561 0.76 HDAC8 (0.42) KIF11CYP19A1USP2RAB9AMAPT
SCHEMBL230672 0.75 MAPK1 (0.44) CYP19A1RAB9AMAPTALDH1A1CYP3A4
SCHEMBL11044204 0.75 KIF11 (0.52) KIF11RAB9AMAPTKDM4EALDH1A1
SCHEMBL24608491 0.74 CYP19A1 (0.50) KIF11CYP19A1JAK2ROCK2PRKCQ
SCHEMBL30589181 0.74 CYP19A1 (0.50) KIF11CYP19A1JAK2ROCK2PRKCQ
SCHEMBL27526789 0.73 KIF11 (0.52) KIF11CYP19A1USP2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 US disclosed
CN-100422160-C Morpholine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2008-10-01 CN disclosed
EP-1150970-B1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2007-08-22 EP disclosed
EP-1165528-B1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2004-09-01 EP disclosed
US-20040072840-A1 Novel piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-04-15 US disclosed
US-6642233-B1 Strong affinity and high selectivity for the human NK1 receptors of substance P. SANOFI-SYNTHELABO (FR) 2003-11-04 US disclosed
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 US disclosed
CN-1353698-A Novel morpholine derivatives, method for production thereof and pharmaceutical preparations containing said derivatives SANOFI SYNTHELABO (FR) 2002-06-12 CN disclosed
CN-1345317-A (1-phenacy-3-phenyl-3-piperidylethyl)piperidine derivatives, method for production thereof and pharmaceutical compositions containing the same SANOFI SYNTHELABO (FR) 2002-04-17 CN disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
EP-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 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 (3 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-20040072840-A1 Novel piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them TACR1, TACR2, KCNJ11 KIF11 828/4885CYP19A1 2783/4885UGT1A4 1722/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA KIF11 981/4885CYP19A1 306/4885UGT1A4 628/4885
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF SLC6A5, SLC7A1, AGXT KIF11 3940/4885CYP19A1 2754/4885UGT1A4 672/4885

“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.