SCHEMBL7042291

SCHEMBL7042291

CCCCNC(=O)[C@H]1Cc2cc(F)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NAMPT P43490 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
MAPK1 P28482 1/20 0.40
PRCP P42785 1/20 0.40
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 4/20 0.38
HTR2A P28223 4/20 0.38
DRD3 P35462 4/20 0.38
HTR2C P28335 2/20 0.38
DRD2 P14416 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7042289 1.00 NPC1 (0.45) NPC1RAB9ANAMPTHDAC8MAPK1
SCHEMBL7664595 1.00 NPC1 (0.45) NPC1RAB9ANAMPTHDAC8MAPK1
SCHEMBL7042007 0.85 ALOX15 (0.44) HDAC8PRCPTHRBGAAHTR1A
SCHEMBL7042773 0.83 HDAC8 (0.48) NPC1RAB9AHDAC8MAPK1GAA
SCHEMBL7041535 0.83 HDAC8 (0.48) NPC1RAB9AHDAC8MAPK1GAA
SCHEMBL7668937 0.83 HDAC8 (0.48) NPC1RAB9AHDAC8MAPK1GAA
SCHEMBL14081991 0.82 NAMPT (0.42) NPC1RAB9ANAMPTGAALMNA
SCHEMBL7044762 0.82 MAPT (0.54) PRCPGAAHTR1AHTR2ADRD3
SCHEMBL12641854 0.81 KMT2A (0.51) NPC1RAB9AHDAC8GAALMNA
SCHEMBL14081694 0.80 GAA (0.40) GAALMNAHTTMAPT

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-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 NPC1 368/4885RAB9A 3369/4885NAMPT 1960/4885

“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.