SCHEMBL877436

SCHEMBL877436

Cc1cc(CC(=O)O)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.52
DAO P14920 1/20 0.52
GABRR1 P24046 2/20 0.43
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
ALPL P05186 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
GABRR2 P28476 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37

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
Hydrochloric Acid SCHEMBL1371875 0.98 HCAR2 (0.50) HCAR2DAOGABRR1CCNA2CDK2
SCHEMBL12174907 0.84 HCAR2 (0.47) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL6507956 0.82 HCAR2 (0.46) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL855024 0.81 HCAR2 (0.48) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL14387809 0.79 THRB (0.43) HCAR2DAOGABRR1ALDH1A1KDM4E
SCHEMBL3587984 0.79 KDM4E (0.48) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL12158535 0.79 HCAR2 (0.43) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL8720083 0.78 SMN1; SMN2 (0.51) HCAR2DAOALDH1A1KDM4EPOLB
SCHEMBL27491990 0.78 ALPL (0.42) HCAR2DAOCCNA2CDK2CCNA1
SCHEMBL5989046 0.78 HCAR2 (0.37) HCAR2DAOGABRR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
CN-1209807-A 1-pyrazol-3-yl-ethyl-4-indol-3-yl piperdine as medicine acting on central nervous system MERCK PATENT AG (DE) 1999-03-03 CN disclosed
EP-0879234-A1 1-PYRAZOL-3-YL-ETHYL-4-INDOL-3-YL-PIPERIDINE USED AS MEDICINE ACTING ON THE CENTRAL NERVOUS SYSTEM MERCK PATENT GmbH (DE) 1998-11-25 EP disclosed
WO-1997027186-A1 1-PYRAZOL-3-YL-ETHYL-4-INDOL-3-YL-PIPERIDINE USED AS MEDICINE ACTING ON THE CENTRAL NERVOUS SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-07-31 WO disclosed
US-5340815-A Inhibitors of 5-lipoxygenase and/or cyclooxygenase WARNER-LAMBERT COMPANY (US) 1994-08-23 US disclosed
EP-0569491-A4 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS 1993-11-24 EP disclosed
EP-0569491-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-11-18 EP disclosed
WO-1992013536-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-20 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCAR2 893/4885DAO 2105/4885GABRR1 171/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCAR2 893/4885DAO 2105/4885GABRR1 171/4885

“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.