SCHEMBL10132006

SCHEMBL10132006

O=C(NCCc1ccc(F)cc1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
GAA P10253 1/20 0.63
LTA4H P09960 1/20 0.57
EPHX2 P34913 1/20 0.57
FAAH O00519 2/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PLAAT3 P53816 1/20 0.52
PLAAT5 Q96KN8 1/20 0.52
PLAAT2 Q9NWW9 1/20 0.52
PLAAT4 Q9UL19 1/20 0.52
ITGB1 P05556 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL3275542 0.86 NPC1 (0.67) TAAR1NPC1RAB9AGAAEPHX2
SCHEMBL3274691 0.86 FAAH (0.64) NPC1RAB9AFAAHKDM4EALDH1A1
SCHEMBL3279814 0.83 TAAR1 (0.74) TAAR1NPC1RAB9AGAAFAAH
SCHEMBL4446525 0.81 TAAR1 (0.52) TAAR1NPC1RAB9AGAALTA4H
SCHEMBL9267271 0.79 TAAR1 (0.76) TAAR1NPC1RAB9AGAALTA4H
SCHEMBL1834986 0.78 FAAH (0.58) FAAH
SCHEMBL4433149 0.77 TAAR1 (0.51) TAAR1NPC1RAB9AGAALTA4H
Hydrochloric Acid SCHEMBL3998162 0.77 TAAR1 (0.56) TAAR1NPC1RAB9AGAALTA4H
SCHEMBL4678473 0.77 FAAH (0.66) NPC1RAB9AFAAHKDM4EALDH1A1
SCHEMBL8802503 0.76 LMNA (0.61) NPC1RAB9ALTA4HEPHX2KDM4E

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.