SCHEMBL4371502

SCHEMBL4371502

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc(N=C=S)ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 1/20 0.41
F2RL3 Q96RI0 4/20 0.38
GPR119 Q8TDV5 2/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRD1 P41143 1/20 0.36
CHEK2 O96017 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL449546 0.84 ALOX5AP (0.47) ALOX5APFEN1F2RL3GPR119KDR
SCHEMBL447303 0.84 ALOX5AP (0.47) ALOX5APFEN1F2RL3GPR119KDR
SCHEMBL447304 0.84 ALOX5AP (0.47) ALOX5APFEN1F2RL3GPR119KDR
SCHEMBL4977559 0.82 ALOX5AP (0.43) ALOX5APFEN1F2RL3LMNANPSR1
SCHEMBL4374846 0.82 ALOX5AP (0.43) ALOX5APFEN1F2RL3LMNANPSR1
SCHEMBL4370059 0.82 ALOX5AP (0.43) ALOX5APFEN1F2RL3LMNANPSR1
SCHEMBL6181081 0.82 GPR119 (0.46) ALOX5APFEN1GPR119LMNANPSR1
SCHEMBL6192737 0.82 GPR119 (0.46) ALOX5APFEN1GPR119LMNANPSR1
SCHEMBL4372549 0.77 ALOX5AP (0.48) ALOX5APFEN1F2RL3GPR119
SCHEMBL4367186 0.77 ALOX5AP (0.48) ALOX5APFEN1F2RL3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALOX5AP 555/4885FEN1 1212/4885F2RL3 1674/4885

“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.