SCHEMBL2073072

SCHEMBL2073072

NC(=O)NC1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PDPK1 O15530 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
HTT P42858 1/20 0.55
TAS1R3 Q7RTX0 3/20 0.55
TAS1R1 Q7RTX1 3/20 0.55
TAS1R2 Q8TE23 3/20 0.55
ALDH1A1 P00352 2/20 0.54
EPHX2 P34913 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
EPHX1 P07099 1/20 0.52
MAPT P10636 1/20 0.50
P2RX7 Q99572 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL1442687 1.00 CA1 (0.57) CA1CA2PDPK1PDE4APDE4B
SCHEMBL1441195 1.00 CA1 (0.57) CA1CA2PDPK1PDE4APDE4B
SCHEMBL30751997 1.00 CA1 (0.57) CA1CA2PDPK1PDE4APDE4B
SCHEMBL30752036 1.00 CA1 (0.57) CA1CA2PDPK1PDE4APDE4B
SCHEMBL2358933 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30751972 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30046159 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1441796 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
Hydrochloric Acid SCHEMBL19029871 0.89 HTT (0.67) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4472558 0.87 CA1 (0.54) CA1CA2PDPK1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP claimed
EP-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 EP claimed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US claimed
CN-1202153-A 3-(4-subst.-piperidinyl-1)-1-(3,4-dichlorophenyl) propyl carbamates and ureas and derivatives as neurokinin antagonists ZENECA LTD (GB) 1998-12-16 CN claimed
US-20230303486-A1 CYCLOBUTYL-UREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-09-28 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
EP-4172140-A1 CYCLOBUTYL-UREA DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2023-05-03 EP disclosed
EP-4143165-A1 SPIROUREA DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2023-03-08 EP disclosed
CN-115702141-A Cyclobutyl-urea derivatives 爱杜西亚药品有限公司 2023-02-14 CN disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 CN disclosed
WO-2021260090-A1 CYCLOBUTYL-UREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-30 WO disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 WO disclosed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP disclosed
US-6090824-A Therapeutic neurokinin receptor antagonist compounds ZENECA LIMITED (GB) 2000-07-18 US disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
CN-1202153-A 3-(4-subst.-piperidinyl-1)-1-(3,4-dichlorophenyl) propyl carbamates and ureas and derivatives as neurokinin antagonists ZENECA LTD (GB) 1998-12-16 CN disclosed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 EP disclosed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 WO disclosed
US-5288905-A Glycyl urea derivatives as anti-convulsants G. D. SEARLE & CO. (US) 1994-02-22 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 (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-20230303486-A1 CYCLOBUTYL-UREA DERIVATIVES KCNA4, KCNMB4, KCNA7 CA1 2894/4885CA2 1372/4885PDPK1 3623/4885
US-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 CA1 3364/4885CA2 962/4885PDPK1 2452/4885

“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.