SCHEMBL840651

SCHEMBL840651

N#CC1(CC(=O)O)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
CACNA2D1 P54289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 3/20 0.40
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.33
MME P08473 1/20 0.32
DPP4 P27487 2/20 0.32

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
SCHEMBL3495245 1.00 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3909670 0.98 CYP2C19 (0.47) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2805815 0.98 CYP2C19 (0.45) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2807409 0.93 HSD11B1 (0.41) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL7552932 0.89
SCHEMBL5692544 0.81 ALDH1A1 (0.38) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL8839908 0.79 ALDH1A1 (0.37) CYP2C19ALDH1A1CYP1A2USP2LMNA
Potassium Ion SCHEMBL3909671 0.79 ALDH1A1 (0.37) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL14744077 0.78 MCL1 (0.36) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL31119581 0.76 P2RX7 (0.38) CYP2C19ALDH1A1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428656-B2 Nitrilase mutant and application thereof in the synthesis of 1-cyanocyclohexyl acetic acid ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2025-09-30 US claimed
US-20250084395-A1 ENGINEERED NITRILASES FOR BIOCATALYSIS KCAT ENZYMATIC PRIVATE LIMITED (IN) 2025-03-13 US claimed
WO-2025041039-A1 IMMOBILISED WHOLE CELL NITRILASES FOR BIOCATALYSIS OF GABAPENTIN INTERMEDIATE GRANULES INDIA LIMITED (IN) 2025-02-27 WO claimed
CN-118931887-A Nitrilase cross-linked enzyme aggregate, and preparation method and application thereof 浙江工业大学 2024-11-12 CN claimed
CN-118440142-A Connecting peptide, nitrilase fusion protein and application thereof 浙江工业大学 2024-08-06 CN claimed
CN-118341476-A Porous Raney nickel base alloy catalyst, preparation method and application thereof in low-temperature hydrogenation reaction 浙江工业大学 2024-07-16 CN claimed
CN-113025601-B Optimized expression and application of nitrilase promoter 上海奥博生物医药股份有限公司 2024-06-21 CN claimed
CN-118086272-A High-efficiency nitrilase immobilization method and application 浙江工业大学 2024-05-28 CN claimed
US-11987826-B2 Nitrilase mutant and application thereof in the synthesis of an anti-epileptic drug intermediate ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2024-05-21 US claimed
CN-114958801-B Product tolerant nitrilase mutant and application thereof 浙江工业大学 2024-05-03 CN claimed
EP-2024324-A1 PROCESS FOR PREPARING GABAPENTIN Pfizer Science and Technology Ireland Limited (IE) 2009-02-18 EP claimed
WO-2008004115-A1 PROCESS FOR PREPARING GABAPENTIN ZACH SYSTEM S.P.A. (IT) 2008-01-10 WO claimed
WO-2007129286-A1 PROCESS FOR PREPARING GABAPENTIN PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) 2007-11-15 WO claimed
EP-1639118-A1 BIOCATALYTIC PREPARATION OF 1-CYANOCYCLOHEXANEACETIC ACID Pfizer Products Inc. (US) 2006-03-29 EP claimed
US-20050009154-A1 Biocatalytic preparation of 1-cyano-cyclohexaneacetic acid PFIZER INC 2005-01-13 US claimed
WO-2004111256-A1 BIOCATALYTIC PREPARATION OF 1-CYANOCYCLOHEXANEACETIC ACID PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
US-5693845-A Cyanocycloalkylacetic acid and ester intermediates for preparing cyclic amino acid anticonvulsant compounds WARNER-LAMBERT COMPANY (US) 1997-12-02 US claimed
EP-0414262-B1 Process for the preparation of cyclic amino anticonvulsant compounds WARNER LAMBERT CO (US) 1994-11-30 EP claimed
US-5132451-A Process for cyclic amino acid anticonvulsant compounds WARNER-LAMBERT COMPANY (US) 1992-07-21 US claimed
EP-0414262-A2 Process for the preparation of cyclic amino anticonvulsant compounds WARNER-LAMBERT COMPANY (US) 1991-02-27 EP claimed