SCHEMBL5846503

SCHEMBL5846503

CC1C(=O)CCCC1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KDM1A O60341 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC9A1 P19634 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LIG1 P18858 1/20 0.37
SLC6A9 P48067 4/20 0.36
OPRM1 P35372 3/20 0.36

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
SCHEMBL24820969 0.84 MT-CO2 (0.43) ALOX15TSHRALDH1A1
SCHEMBL11473867 0.84 MT-CO2 (0.43) ALOX15TSHRALDH1A1
SCHEMBL24806685 0.84 MT-CO2 (0.43) ALOX15TSHRALDH1A1
SCHEMBL361341 0.76 LMNA (0.43) ALOX15TSHRKDM1ASLC6A2SLC6A4
SCHEMBL29088187 0.74 MAPT (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL24806792 0.73 KDM4E (0.43) ALOX15TSHRKDM1AKDM4EALDH1A1
SCHEMBL19381902 0.73 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3HRH3
SCHEMBL19381975 0.73 KDM1A (0.47) KDM1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL16937013 0.72 KDM1A (0.45) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL24807939 0.72 CHRNB4 (0.42) HTR2AHTR2CHTR2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126010-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-10-24 US disclosed
US-20050124671-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity WACKER DEAN A (US) 2005-06-09 US disclosed
US-6864380-B2 Benzylcycloalkyl amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-08 US disclosed
US-20040014758-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity WACKER DEAN A (US) 2004-01-22 US disclosed
EP-1220836-A2 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2002-07-10 EP disclosed
WO-2001028987-A1 BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-26 WO 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-20040014758-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 ALOX15 1689/4885TSHR 2607/4885KDM1A 2965/4885
US-20050124671-A1 Benzylcycloalkyl amines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 ALOX15 1707/4885TSHR 2506/4885KDM1A 3597/4885

“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.