SCHEMBL319933

SCHEMBL319933

CNC(C)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 2/20 0.44
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
CYP19A1 P11511 7/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PHGDH O43175 1/20 0.38
ABCC9 O60706 1/20 0.38
KCNJ11 Q14654 1/20 0.38

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
SCHEMBL14619249 1.00 LOXL2 (0.47) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL14429871 1.00 LOXL2 (0.47) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL22593409 0.81 CYP2A6 (0.43) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL18884372 0.81 CYP2A6 (0.43) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL6244539 0.81 CYP2A6 (0.43) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL5464289 0.79 CYP3A4 (0.44) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL5464291 0.79 CYP3A4 (0.44) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL30707726 0.78 ALDH1A1 (0.46) ALDH1A1CA12CA2CA9CA14
SCHEMBL24468091 0.78 CYP2A6 (0.45) LOXL2ALDH1A1CYP2A6GRIA1GRIA2
SCHEMBL13557870 0.77 CYP2A6 (0.52) LOXL2ALDH1A1CYP2A6GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4302764-A2 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE Sage Therapeutics, Inc. (US) 2024-01-10 EP disclosed
EP-3481845-B1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2023-09-13 EP disclosed
EP-3481845-B1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2023-09-13 EP disclosed
CN-116162121-A C17, C20 and C21 substituted neuroactive steroids and methods of use thereof 萨奇治疗股份有限公司 2023-05-26 CN disclosed
US-20230116347-A1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-04-13 US disclosed
CN-109689673-B C17, C20 and C21 substituted neuroactive steroids and methods of use thereof 萨奇治疗股份有限公司 2023-03-14 CN disclosed
US-11425910-B2 Substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2022-08-30 US disclosed
US-11396525-B2 C17, C20, and C21 substituted neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
US-11396525-B2 C17, C20, and C21 substituted neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
EP-3575286-B1 PYRIDONE COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE, WHICH USES SAID COMPOUND AS ACTIVE INGREDIENT MITSUI CHEMICALS AGRO INC (JP) 2022-05-11 EP disclosed
CN-103097365-B 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO S.A. (CH) 2016-02-24 CN disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
EP-2590956-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS Merck Serono S.A. (CH) 2013-05-15 EP disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
CN-103097365-A 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO SA 2013-05-08 CN disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (7 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 LOXL2 1005/4885ALDH1A1 2173/4885CYP2A6 3646/4885
US-20230116347-A1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE CNR1, CNR2, GABRA1 LOXL2 4016/4885ALDH1A1 348/4885CYP2A6 221/4885
US-11396525-B2 C17, C20, and C21 substituted neuroactive steroids and their methods of use CNR1, CNR2, GABRA1 LOXL2 4016/4885ALDH1A1 348/4885CYP2A6 221/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 LOXL2 4172/4885ALDH1A1 2435/4885CYP2A6 2406/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 LOXL2 4394/4885ALDH1A1 3084/4885CYP2A6 2698/4885
US-11425910-B2 Substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, TH LOXL2 1273/4885ALDH1A1 2017/4885CYP2A6 3560/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR LOXL2 4447/4885ALDH1A1 2333/4885CYP2A6 2837/4885

“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.