SCHEMBL924299

SCHEMBL924299

Cc1ccc(C[C@@H](N)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TACR1 P25103 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL248882 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19TACR1SMN1; SMN2
SCHEMBL2785511 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19TACR1SMN1; SMN2
SCHEMBL2333573 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19TACR1SMN1; SMN2
SCHEMBL3282010 0.92 SLC6A2 (0.52) CYP2D6CYP1A2CYP2C19TACR1SLC6A2
SCHEMBL12706002 0.90 CYP1A2 (0.62) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL10804153 0.90 CYP1A2 (0.62) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
Lactic Acid SCHEMBL7771136 0.87 PSMB5 (0.48) CYP2D6CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL468022 0.85 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL272604 0.85 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL3451169 0.85 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754740-B2 1H-indole-3-carboxylic acid derivatives and their use as PPAR agonists MERCK PATENT GMBH (DE) 2010-07-13 US claimed
EP-1142892-A1 PROCESSES FOR THE PREPARATION OF NOVEL NAPHTHYRIDINE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2001-10-10 EP claimed
US-20230312486-A1 POLYMORPHIC FORMS OF A ROR INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION GLENMARK SPECIALTY S.A. (CH) 2023-10-05 US disclosed
CN-116669733-A Polymorphic forms of rorgamma inhibiting compounds and methods of making the same 格兰马克专业公司 2023-08-29 CN disclosed
EP-4208449-A1 POLYMORPHIC FORMS OF A RORGAMMA INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION Glenmark Specialty S.A. (CH) 2023-07-12 EP disclosed
WO-2022049534-A1 POLYMORPHIC FORMS OF A RORΓ INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION GLENMARK SPECIALTY S.A. (CH) 2022-03-10 WO disclosed
EP-2247292-B1 PYRIDOPYRAZINONES DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
EP-2867240-B1 THIENOPYRIDONE DERIVATIVES USEFUL AS ACTIVATORS OF AMPK POXEL (FR) 2016-09-14 EP disclosed
US-9365584-B2 Thieno [2,3-B] pyridinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-06-14 US disclosed
EP-2262500-B1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-9284329-B2 Thienopyridone derivatives useful as activators of AMPK POXEL (FR) 2016-03-15 US disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US disclosed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 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 (1 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-20230312486-A1 POLYMORPHIC FORMS OF A ROR INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION RORA, RORB, RORC CYP2D6 105/4885CYP1A2 51/4885CYP2C19 142/4885

“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.