SCHEMBL4142385

SCHEMBL4142385

O=C(Nc1cccc2c1C[CH]CC2)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CASP3 P42574 1/20 0.47
POLB P06746 2/20 0.47
MGLL Q99685 2/20 0.45
PLAU P00749 1/20 0.45
PTPN1 P18031 1/20 0.45
MAOB P27338 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 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
SCHEMBL14278349 0.81 NPC1 (0.53) NPC1RAB9ACASP3POLBMGLL
SCHEMBL4142386 0.80 NPC1 (0.52) NPC1RAB9ACASP3POLBMGLL
SCHEMBL472400 0.79 TRPV1 (0.53) NPC1RAB9ACASP3MGLLPLAU
SCHEMBL1961986 0.78 NPC1 (0.50) NPC1RAB9ACASP3POLBMGLL
SCHEMBL2233522 0.77 NPC1 (0.69) NPC1RAB9ACASP3POLBMGLL
SCHEMBL14278347 0.77 CA1 (0.49) NPC1RAB9ACASP3POLBMGLL
SCHEMBL14278348 0.75 NPC1 (0.50) NPC1RAB9ACASP3POLBMGLL
SCHEMBL16193532 0.74 NPC1 (0.69) NPC1RAB9ACASP3POLBMGLL
SCHEMBL30522295 0.74 NPC1 (0.69) NPC1RAB9ACASP3POLBMGLL
SCHEMBL13310231 0.74 NPC1 (0.54) NPC1RAB9ACASP3POLBMGLL

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-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 NPC1 237/4885RAB9A 1734/4885CASP3 2715/4885

“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.