SCHEMBL425869

SCHEMBL425869

CC1(C)OCCN1C(=O)n1cnc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
CES2 O00748 1/20 0.37
USP19 O94966 3/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCB1 P08183 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7900400 0.89 ALDH1A1 (0.35) FAAHCES2ALDH1A1NPC1RAB9A
SCHEMBL424650 0.88 MAP4K4 (0.39) FAAHALDH1A1NPC1RAB9AKDM4E
SCHEMBL425743 0.78 FAAH (0.43) FAAHCES2USP19ALDH1A1CYP1A2
SCHEMBL425824 0.77 FAAH (0.40) FAAHCES2USP19CYP1A2HPGD
SCHEMBL424634 0.76 FAAH (0.42) FAAHCES2USP19CYP3A4CYP2C9
SCHEMBL426612 0.76 ALDH1A1 (0.51) ALDH1A1CYP2C9CYP2C19NPC1RAB9A
SCHEMBL427487 0.75 MAP4K4 (0.36) FAAHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL424570 0.74 FAAH (0.44) FAAHCES2USP19ALDH1A1NPC1
SCHEMBL10645106 0.74 FAAH (0.56) FAAHCES2ALDH1A1CYP2C9CYP2C19
SCHEMBL424684 0.73 ALDH1A1 (0.45) FAAHALDH1A1CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885USP19 744/4885

“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.