SCHEMBL4135889

SCHEMBL4135889

CC/C(C(=O)NCCc1ccccc1F)=C(/C)N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TAAR1 Q96RJ0 4/20 0.46
CNR1 P21554 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 2/20 0.43
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4135892 1.00 NPC1 (0.48) NPC1RAB9AKDM4ETAAR1CNR1
SCHEMBL4135882 1.00 NPC1 (0.48) NPC1RAB9AKDM4ETAAR1CNR1
SCHEMBL14045177 0.80 NPC1 (0.58) NPC1RAB9AKDM4ETAAR1CNR1
SCHEMBL14241867 0.78 TAAR1 (0.56) RAB9ATAAR1CNR1TRPV1L3MBTL1
SCHEMBL1010476 0.78 MTNR1A (0.61) NPC1RAB9AKDM4ETAAR1CNR1
SCHEMBL4152840 0.78 RAB9A (0.45) NPC1RAB9AKDM4ETAAR1CNR1
SCHEMBL4152846 0.78 RAB9A (0.45) NPC1RAB9AKDM4ETAAR1CNR1
SCHEMBL4135175 0.76 TAAR1 (0.49) TAAR1CNR1KMT2AMEN1
SCHEMBL4135180 0.76 TAAR1 (0.49) TAAR1CNR1KMT2AMEN1
SCHEMBL4135179 0.76 TAAR1 (0.49) TAAR1CNR1KMT2AMEN1

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB NPC1 503/4885RAB9A 1457/4885KDM4E 4712/4885

“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.