SCHEMBL5317009

SCHEMBL5317009

CCC(=O)OC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
CHRM3 P20309 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
POLB P06746 1/20 0.39
EPHX1 P07099 4/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 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 SCHEMBL4180578 0.98 NAAA (0.41) NAAACHRM3CHRM2CHRM4CHRM1
SCHEMBL3913426 0.88 CHRM1 (0.39) NAAACHRM3CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL29429508 0.86 CHRM1 (0.38) NAAACHRM3CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL29429517 0.86 CHRM1 (0.38) NAAACHRM3CHRM2CHRM4CHRM1
SCHEMBL21765657 0.84 NAAA (0.48) NAAACHRM3CHRM2CHRM4CHRM1
SCHEMBL2253713 0.84
SCHEMBL3111263 0.84 NAAA (0.51) NAAAEPHX1GNAI3GNAO1GNAI1
SCHEMBL11377347 0.83 NAAA (0.44) NAAACHRM3POLBEPHX1GABRP
Hydrochloric Acid SCHEMBL27604463 0.82 NAAA (0.50) NAAAGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL22466294 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101627049-B Synthesis of phthalamides CARA THERAPEUTICS INC 2012-09-05 CN claimed
CN-101627049-A Synthesis of phthalamides CARA THERAPEUTICS INC 2010-01-13 CN claimed
CN-101535336-A Synthetic phthalamides and dimers thereof SYNTHETIC PEPTIDE AMIDES AND D (US) 2009-09-16 CN claimed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 US claimed
CN-111788191-B 1- (Piperidinylcarbonylmethyl) -2-oxopiperazine derivatives for the treatment of cancer 英夕亚生物科技股份公司 2024-06-04 CN disclosed
CN-110214012-A Azole pyrimidines for the treatment of cancer-related diseases 艾库斯生物科学有限公司 2019-09-06 CN disclosed
CN-108456204-A Benzothiazine derivative and its preparation method and application 四川大学 2018-08-28 CN disclosed
EP-2879673-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-10 EP disclosed
CN-101535336-B Synthetic phthalamides and dimers thereof CARA THERAPEUTICS INC 2014-04-02 CN disclosed
WO-2014025709-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 WO disclosed
CN-101627049-B Synthesis of phthalamides CARA THERAPEUTICS INC 2012-09-05 CN disclosed
CN-101801954-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2010-08-11 CN disclosed
EP-1305048-A2 INHIBITORS OF CELLULAR EFFLUX PUMPS OF MICROBES Wockhardt Limited (IN) 2003-05-02 EP disclosed
US-20020177559-A1 Quinolone derivatives WOCKHARDT LIMITED 2002-11-28 US disclosed
WO-2002009758-A2 INHIBITORS OF CELLULAR EFFLUX PUMPS OF MICROBES WOCKHARDT LIMITED (IN) 2002-02-07 WO disclosed
CN-1314345-A Novel piperidine-4-sulfamide compound, its preparing method and medicinal composition containing them ADIR (FR) 2001-09-26 CN disclosed
US-5661148-A ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER TEIJIN LIMITED (JP) 1997-08-26 US disclosed
EP-0514540-B1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-07-17 EP disclosed
EP-0514540-A1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-11-25 EP disclosed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 US 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-20020177559-A1 Quinolone derivatives ABCB11, ABCB1, ABCG2 NAAA 588/4885CHRM3 4041/4885CHRM2 4526/4885

“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.