SCHEMBL2592

SCHEMBL2592

CCC(=O)[N]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.40
AKR1B1 P15121 1/20 0.39
TSHR P16473 2/20 0.39
TRPA1 O75762 1/20 0.39
TP53 P04637 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
NOS2 P35228 1/20 0.38
GLA P06280 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
SCHEMBL1553413 0.83 CES2 (0.47) CES2CES1MAPTSMN1; SMN2L3MBTL1
SCHEMBL8861492 0.80 ESR1 (0.41) MAPTSMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL8010216 0.80 CES1 (0.54) CES2CES1MAPTL3MBTL1ALDH1A1
SCHEMBL7441502 0.79 CES2 (0.50) CES2CES1L3MBTL1ALDH1A1TSHR
SCHEMBL11784915 0.78 MAPT (0.43) CES1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10739455 0.78 NOS3 (0.42) CES2CES1L3MBTL1ALDH1A1NOS3
SCHEMBL9445076 0.78 NOS3 (0.42) CES2CES1NOS3NOS1LMNA
SCHEMBL7450293 0.78 CES2 (0.51) CES2CES1MAPTATMALDH1A1
SCHEMBL2229589 0.77 MAPT (0.41) CES1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5839905 0.77 HTR3E (0.39) CES2CES1MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US claimed
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO claimed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US claimed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO claimed
US-6248752-B1 Azabicyclooctane compositions and methods for enhancing chemotherapy SMITH CHARLES DUANE (US) 2001-06-19 US claimed
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP claimed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
US-4684731-A NEUROLEPTIC, ANTIEMETIC, ANALGESIC HOFFMANN-LA ROCHE INC. (US) 1987-08-04 US claimed
EP-0037990-B1 PHENYL QUINOLIZIDINES, CORRESPONDING PHARMACEUTICAL PREPARATIONS, THE PREPARATION OF THE ACTIVE COMPOUNDS AND CORRESPONDING STARTING COMPOUNDS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-12-05 EP claimed
EP-0037990-A1 Phenyl quinolizidines, corresponding pharmaceutical preparations, the preparation of the active compounds and corresponding starting compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-10-21 EP claimed
EP-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 EP disclosed
EP-3421454-B1 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-04-05 EP disclosed
CN-108884044-B Piperidine derivatives 大塚制药株式会社 2023-01-31 CN disclosed
EP-3395857-B1 POLYMER CONJUGATE OF SULFOXIDE DERIVATIVE-COORDINATED PLATINUM(II) COMPLEX NIPPON KAYAKU KK (JP) 2021-05-26 EP disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed
EP-0374095-A2 Piperidine derivatives CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4665087-A ANGIOTENSIN-CONVERTING ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1987-05-12 US disclosed
US-4435394-A 3-Sulfonamido-benzophenonimine derivatives useful for treating virus infections SHIONOGI & CO., LTD. (JP) 1984-03-06 US disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 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-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists TBXA2R, MRGPRX2, MRGPRX1 CES2 2141/4885CES1 1847/4885MAPT 4692/4885

“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.