SCHEMBL4435567

SCHEMBL4435567

O=C(NCCc1ccc(F)cc1)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
FAAH O00519 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
FPR2 P25090 1/20 0.44
PPM1D O15297 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4433149 0.99 TAAR1 (0.51) TAAR1NPC1RAB9AGAAPOLB
SCHEMBL3279814 0.78 TAAR1 (0.74) TAAR1NPC1RAB9AGAAFAAH
SCHEMBL10712102 0.78 FAAH (0.46) NPC1RAB9AGAAPOLBFFAR4
SCHEMBL10132006 0.76 TAAR1 (0.63) TAAR1NPC1RAB9AGAAFAAH
SCHEMBL8939300 0.75 TAAR1 (0.54) TAAR1NPC1RAB9APOLBEPHX2
SCHEMBL6221442 0.75 MCHR1 (0.55) TAAR1POLBTSHRALDH1A1
SCHEMBL28104032 0.73 HDAC8 (0.56) NPC1RAB9APOLBFAAHALDH1A1
SCHEMBL4446525 0.73 TAAR1 (0.52) TAAR1NPC1RAB9AGAAFAAH
SCHEMBL20401190 0.73 HTR2C (0.50) NPC1RAB9AFFAR4FAAHEPHX2
Bicarbonate SCHEMBL9321721 0.71 HAO1 (0.51) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
WO-2012058115-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES CRAVATT BENJAMIN (US) 2012-05-03 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-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES AADAC, DDAH1, PRSS1 TAAR1 3566/4885NPC1 2821/4885RAB9A 2121/4885

“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.