SCHEMBL3223892

SCHEMBL3223892

CS(=O)(=O)NC(=O)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GABRA1 P14867 2/20 0.45
TSHR P16473 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
PMP22 Q01453 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
GNAI3 P08754 1/20 0.44

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
Urea SCHEMBL4201729 0.94 POLB (0.43) POLBGABRA1TSHRGABRG2GABRB3
SCHEMBL15082266 0.89 TSHR (0.38) POLBGABRA1TSHRGABRG2GABRB3
SCHEMBL21235945 0.89 TSHR (0.38) POLBGABRA1TSHRGABRG2GABRB3
Trifluoroacetic Acid SCHEMBL28974434 0.88 GABRA1 (0.40) POLBGABRA1TSHRGABRG2GABRB3
SCHEMBL4110765 0.85 POLB (0.36) POLBTSHRKMT2ALMNAALDH1A1
SCHEMBL7695741 0.81 HDAC8 (0.48) TSHRLMNAALDH1A1SMN1; SMN2EPHX1
SCHEMBL15931748 0.81 HDAC8 (0.43) TSHRLMNAALDH1A1SMN1; SMN2EPHX1
SCHEMBL17294409 0.79 CHRNB2 (0.39) NOS2
SCHEMBL19060 0.79 HDAC8 (0.52) TSHRALDH1A1SMN1; SMN2EPHX1
SCHEMBL30803944 0.78 SLC6A1 (0.52) TSHRCYP2D6KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601804-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-06-04 CN disclosed
CN-115232109-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2022-10-25 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
EP-3478680-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN LA ROCHE (CH) 2020-04-22 EP disclosed
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-08 US disclosed
CN-104619709-B Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-11-09 CN disclosed
EP-2029539-B1 N-(piperidinyl)-urea derivatives as inhibitors of soluble epoxide hydrolase for the treatment of e.g. hypertension or inflammations UNIV CALIFORNIA (US) 2016-06-29 EP disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
US-9029550-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-12 US disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080221105-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
US-20080207908-A1 PROCESSES FOR THE PREPARATION OF PIPERIDINYL-SUBSTITUTED UREA COMPOUNDS ARETE THERAPEUTICS, INC 2008-08-28 US disclosed
WO-2008094862-A1 PROCESSES FOR THE PREPARATION OF PIPERIDINYL-SUBSTITUTED UREA COMPOUNDS ARETE THERAPEUTICS, INC. (US) 2008-08-07 WO disclosed
WO-2008094869-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC. (US) 2008-08-07 WO disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
WO-2007106525-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-20 WO disclosed
EP-1322596-B1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-15 EP disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 US disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 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 (5 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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R POLB 4866/4885GABRA1 360/4885TSHR 241/4885
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION TYMP, RECQL, DPYD POLB 178/4885GABRA1 3057/4885TSHR 2416/4885
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 POLB 2136/4885GABRA1 2915/4885TSHR 3335/4885
US-20080221105-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS EPHX1, NCEH1, PNLIP POLB 2388/4885GABRA1 2682/4885TSHR 2459/4885
US-20080207908-A1 PROCESSES FOR THE PREPARATION OF PIPERIDINYL-SUBSTITUTED UREA COMPOUNDS UMPS, CPS1, NISCH POLB 101/4885GABRA1 2683/4885TSHR 3713/4885

“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.