SCHEMBL632444

SCHEMBL632444

NCCCc1cccc(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.77
DRD1 P21728 2/20 0.77
TAAR1 Q96RJ0 1/20 0.77
ENPP2 Q13822 1/20 0.63
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
MGLL Q99685 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
OPRK1 P41145 1/20 0.52
CALM1 P0DP23 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL30012454 1.00 DRD2 (0.77) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL30012562 0.94 DRD2 (0.74) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL3292837 0.94 DRD2 (0.74) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL43719 0.87 TAAR1 (1.00) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL29465557 0.87 TAAR1 (1.00) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL31674607 0.87 DRD2 (0.68) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL11232474 0.87 DRD2 (0.68) DRD2DRD1TAAR1ENPP2CHRM2
SCHEMBL28368586 0.87 DRD2 (0.68) DRD2DRD1TAAR1ENPP2CHRM2
Bromide SCHEMBL3284467 0.85 TAAR1 (0.96) DRD2DRD1TAAR1ENPP2CHRM2
Hydrochloric Acid SCHEMBL453247 0.85 TAAR1 (0.96) DRD2DRD1TAAR1ENPP2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115228290-A Preparation method of cleaning-resistant reverse osmosis membrane 万华化学集团股份有限公司 2022-10-25 CN claimed
EP-1347752-A4 ANTI-PROLIFERATIVE DRUGS UNIV RAMOT (IL) 2005-04-06 EP claimed
US-20050013853-A1 Anti-proliferative drugs PERRIGO ISRAEL PHARMACEUTICALS LTD. (IL) 2005-01-20 US claimed
US-20040029860-A1 Anti-proliferative drugs RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-02-12 US claimed
EP-1347752-A2 ANTI-PROLIFERATIVE DRUGS Ramot at Tel-Aviv University Ltd. (IL) 2003-10-01 EP claimed
WO-2002043652-A2 ANTI-PROLIFERATIVE DRUGS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2002-06-06 WO claimed
US-6384031-B1 None US disclosed
CN-115228290-A Preparation method of cleaning-resistant reverse osmosis membrane 万华化学集团股份有限公司 2022-10-25 CN disclosed
US-20220117937-A1 USE OF SMALL MOLECULE INHIBITORS OF THE BFRB:BFD INTERACTION IN BIOFILMS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2022-04-21 US disclosed
EP-2806897-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
CN-103553945-B Alkoxy compounds for disease treatment ACUCELA INC 2015-01-07 CN disclosed
CN-103553945-A Alkoxy compounds for disease treatment ACUCELA INC 2014-02-05 CN disclosed
CN-101889017-B Alkoxy compounds for the treatment of diseases ACUCELA INC 2013-11-27 CN disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
US-5972939-A Cyclopentene derivatives useful as antagonists of the motilin receptor ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-26 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
EP-0846679-A2 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-06-10 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
EP-0007716-A1 R-N-(2-phenyl-2-hydroxyethyl)-3-phenylpropyl amines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-02-06 EP 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-20220117937-A1 USE OF SMALL MOLECULE INHIBITORS OF THE BFRB:BFD INTERACTION IN BIOFILMS BLVRB, Q6ZSR9, BTD DRD2 133/4885DRD1 112/4885TAAR1 3885/4885

“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.