SCHEMBL319930

SCHEMBL319930

C[C@@H](N)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP19A1 P11511 5/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
PDE2A O00408 1/20 0.41
TSHR P16473 2/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6814147 1.00 ADRB2 (0.50) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
SCHEMBL320272 1.00 ADRB2 (0.50) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
Hydrochloric Acid SCHEMBL4233791 0.98 ADRB2 (0.48) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
Hydrochloric Acid SCHEMBL1001689 0.98 ADRB2 (0.48) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
Hydrochloric Acid SCHEMBL2161107 0.98 ADRB2 (0.48) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
SCHEMBL29225796 0.94 KIF11 (0.48) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
SCHEMBL29225795 0.94 KIF11 (0.48) ADRB2CYP2A6ALDH1A1CYP19A1LOXL2
SCHEMBL7778714 0.85 KIF11 (0.59) ADRB2CYP2A6ALDH1A1CYP19A1PDE2A
SCHEMBL7799578 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1LOXL2CA12
SCHEMBL13557870 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1LOXL2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
CN-115835909-B Cannabinoid receptor type 2 (CB 2) modulators and uses thereof 泰昂治疗公司 2026-05-15 CN disclosed
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US disclosed
US-20240252504-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS INC (US) 2024-08-01 US disclosed
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
US-11957689-B2 Cannabinoid receptor type 2 (CB2) modulators and uses thereof TEON THERAPEUTICS, INC. (US) 2024-04-16 US disclosed
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-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US 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-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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 (8 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ADRB2 207/4885CYP2A6 359/4885ALDH1A1 245/4885
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 ADRB2 313/4885CYP2A6 3646/4885ALDH1A1 2173/4885
US-12187712-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 ADRB2 213/4885CYP2A6 4216/4885ALDH1A1 2682/4885
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 ADRB2 221/4885CYP2A6 2324/4885ALDH1A1 2422/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 ADRB2 3213/4885CYP2A6 4000/4885ALDH1A1 3841/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 ADRB2 4318/4885CYP2A6 3565/4885ALDH1A1 3755/4885
US-20240252504-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF CNR2, CNR1, GPR18 ADRB2 23/4885CYP2A6 1320/4885ALDH1A1 3600/4885
US-11957689-B2 Cannabinoid receptor type 2 (CB2) modulators and uses thereof CNR2, CNR1, GPR18 ADRB2 23/4885CYP2A6 1320/4885ALDH1A1 3600/4885

“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.