SCHEMBL6749320

SCHEMBL6749320

CC(CCC1CCNCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.46
CPB2 Q96IY4 2/20 0.46
GABRR1 P24046 3/20 0.41
CYP1A2 P05177 1/20 0.41
GABRA5 P31644 3/20 0.40
GABRB2 P47870 3/20 0.40
SLC6A1 P30531 2/20 0.40
SLC6A12 P48065 2/20 0.40
SLC6A11 P48066 2/20 0.40
SLC6A13 Q9NSD5 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRA4 P48169 2/20 0.40
ITGB3 P05106 9/20 0.39
ITGA2B P08514 9/20 0.39
F2R P25116 2/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 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
SCHEMBL13014787 1.00 CPN1 (0.46) CPN1CPB2GABRR1CYP1A2GABRA5
Hydrochloric Acid SCHEMBL27500621 0.98 CPN1 (0.45) CPN1CPB2GABRR1CYP1A2GABRA5
SCHEMBL1858607 0.89 GABRR1 (0.50) CPN1CPB2GABRR1CYP1A2GABRA5
SCHEMBL8507678 0.89 CPN1 (0.44) CPN1CPB2GABRR1CYP1A2ITGB3
SCHEMBL4793949 0.84 CPN1 (0.38) CPN1CPB2GABRR1GABRA5GABRB2
SCHEMBL6987701 0.81 METAP1 (0.46) GABRR1CYP1A2
SCHEMBL61275 0.81 METAP1 (0.46) GABRR1CYP1A2
SCHEMBL17590498 0.81 METAP1 (0.46) GABRR1CYP1A2
SCHEMBL13406394 0.81 CPN1 (0.58) CPN1CPB2GABRR1CYP1A2GABRA5
SCHEMBL21334736 0.81 CPN1 (0.58) CPN1CPB2GABRR1CYP1A2GABRA5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102439007-A Amide derivatives DAIICHI SANKYO CO LTD 2012-05-02 CN disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed
CN-1131665-A Piperazine derivatives, medicaments comprising these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1996-09-25 CN disclosed
US-5492919-A IRRITABLE BOWEL DISORDER SMITHKLINE BEECHAM P.L.C. (GB) 1996-02-20 US disclosed
EP-0596933-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-18 EP disclosed
WO-1993002677-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-02-18 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 CPN1 4288/4885CPB2 2083/4885GABRR1 367/4885

“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.