SCHEMBL218047

SCHEMBL218047

c1ccc(N(c2ccccc2)C2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CCR5 P51681 3/20 0.42
ESR1 P03372 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
G6PC1 P35575 1/20 0.39
ATM Q13315 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 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
SCHEMBL616634 0.98 KCNA3 (0.53) KCNA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL30036856 0.97 KCNA3 (0.47) KCNA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL11484964 0.95 KCNA3 (0.51) KCNA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL11788207 0.90 SLC6A2 (0.45) KCNA3MEN1KMT2AALDH1A1CYP3A4
SCHEMBL14640497 0.90 SLC6A2 (0.45) KCNA3MEN1KMT2AALDH1A1CYP3A4
SCHEMBL14817427 0.89 KCNA3 (0.48) KCNA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4476845 0.88 KCNA3 (0.47) KCNA3MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11789965 0.87 SLC6A2 (0.44) KCNA3MEN1KMT2AALDH1A1CYP3A4
SCHEMBL852761 0.86 CYP3A4 (0.50) KCNA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL29332538 0.86 ESR1 (0.56) KCNA3MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 EP disclosed
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-2785178-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-05-01 EP disclosed
US-20190023649-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2019-01-24 US disclosed
EP-2720539-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2018-10-24 EP disclosed
US-20170237926-A1 OPTICAL DETECTOR AND METHOD FOR MANUFACTURING THE SAME BASF SE (DE) 2017-08-17 US disclosed
CN-103917093-B Opsin binding ligands, compositions, and methods of use 比卡姆药品公司 2017-08-11 CN disclosed
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
CN-106431988-A Opsin-binding ligands, compositions and methods of use 比卡姆药品公司 2017-02-22 CN disclosed
US-20170037024-A1 Opsin-Binding Ligands, Compositions and Methods for Use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-09 US disclosed
WO-2002087508-A2 NITROSATED AND NITROSYLATED NEBIVOLOL AND ITS METABOLITES, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-11-07 WO disclosed
EP-1246621-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2002-10-09 EP disclosed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US disclosed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO disclosed
US-20010041726-A1 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) NICOX S.A. (FR) 2001-11-15 US disclosed
WO-2001045703-A1 NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2001-06-28 WO disclosed
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-4141993-A ANTIDEPRESSANTS ASTRA LAKEMEDEL AKTIEBOLAGET (SE) 1979-02-27 US disclosed
US-4141993-A ANTIDEPRESSANTS ASTRA LAKEMEDEL AKTIEBOLAGET (SE) 1979-02-27 US disclosed
US-4053637-A ANTIDEPRESSANTS ASTRA LAKEMEDAL AKTIEBOLAG (SW) 1977-10-11 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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C KCNA3 4184/4885MEN1 4794/4885KMT2A 4825/4885
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications PTGS2, PTGES2, PTGES KCNA3 2472/4885MEN1 4707/4885KMT2A 2711/4885
US-20170037024-A1 Opsin-Binding Ligands, Compositions and Methods for Use CRYAB, CRYAA, PDE6C KCNA3 4256/4885MEN1 4799/4885KMT2A 4823/4885
US-20190023649-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C KCNA3 4185/4885MEN1 4774/4885KMT2A 4825/4885
US-20010041726-A1 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) PTGS1, PTGS2, PTGES KCNA3 2639/4885MEN1 4773/4885KMT2A 2048/4885

“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.