SCHEMBL4152846

SCHEMBL4152846

CCC(C(=O)NCCc1ccccc1F)=C(C)NC(=O)c1cccc(F)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CNR1 P21554 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
HIF1A Q16665 3/20 0.39
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
P2RX1 P51575 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL4152840 1.00 RAB9A (0.45) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4135889 0.78 NPC1 (0.48) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4135892 0.78 NPC1 (0.48) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4135882 0.78 NPC1 (0.48) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4148041 0.72 ALDH1A1 (0.40) RAB9ANPC1KMT2AMEN1OPRM1
SCHEMBL14045177 0.71 NPC1 (0.58) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL14241867 0.70 TAAR1 (0.56) RAB9ATRPV1CNR1TAAR1
SCHEMBL1010476 0.70 MTNR1A (0.61) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL3074253 0.69 MTNR1A (0.54) KMT2AMEN1KDM4ELMNA
SCHEMBL14019930 0.66 NPC1 (0.54) RAB9ANPC1KMT2AMEN1KDM4E

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 RAB9A 1457/4885NPC1 503/4885KMT2A 4875/4885

“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.