SCHEMBL2888254

SCHEMBL2888254

O=C(O)NC[C@@H]1CCCCN1[C@@H](CO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.41
CCR3 P51677 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL27620524 0.88 HCRTR1 (0.41) HCRTR1HCRTR2KMT2AKDM4ECYP2C9
SCHEMBL27620525 0.88 HCRTR1 (0.41) HCRTR1HCRTR2KMT2AKDM4ECYP2C9
SCHEMBL6575508 0.87 CKS1B (0.41) HCRTR1HCRTR2KMT2AKDM4EEPHX2
SCHEMBL1598078 0.87 CKS1B (0.41) HCRTR1HCRTR2KMT2AKDM4EEPHX2
SCHEMBL6575510 0.87 CKS1B (0.41) HCRTR1HCRTR2KMT2AKDM4EEPHX2
SCHEMBL6222489 0.84 HCRTR1 (0.61) HCRTR1HCRTR2CCR3TP53CYP2D6
SCHEMBL6221269 0.84 HCRTR1 (0.61) HCRTR1HCRTR2CCR3TP53CYP2D6
SCHEMBL6221273 0.84 HCRTR1 (0.61) HCRTR1HCRTR2CCR3TP53CYP2D6
SCHEMBL6221470 0.84 CKS1B (0.43) HCRTR1HCRTR2KMT2AKDM4E
SCHEMBL6221463 0.84 CKS1B (0.43) HCRTR1HCRTR2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2010-11-11 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 (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-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE HLA-DRB1, HLA-C, BRCA1 HCRTR1 4137/4885HCRTR2 3700/4885KMT2A 2167/4885

“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.