SCHEMBL2647408

SCHEMBL2647408

O=C(C=Cc1ccc(C2CCCCC2)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
GPR35 Q9HC97 1/20 0.53
MAOB P27338 4/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL2664949 1.00 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2647403 0.89 MEN1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2647346 0.86 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2664946 0.86 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2647347 0.86 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9071393 0.85 NPC1 (0.65) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2647451 0.85 NPC1 (0.65) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2647449 0.85 NPC1 (0.65) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2646520 0.84 ABCG2 (0.63) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL2649538 0.79 MEN1 (0.58) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR NPC1 1374/4885RAB9A 3070/4885MEN1 2548/4885

“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.