SCHEMBL425825

SCHEMBL425825

O=C(N1COC(c2ccccc2)C1)n1cnc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
SCD5 Q86SK9 10/20 0.36
SCD O00767 4/20 0.36
CES2 O00748 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GSK3B P49841 1/20 0.34
USP30 Q70CQ3 2/20 0.33
USP19 O94966 1/20 0.33
TBXA2R P21731 1/20 0.32

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
SCHEMBL427919 0.88 KMO (0.36) FAAHSCD5SCD
SCHEMBL427957 0.88 LMNA (0.40) CYP1A2CYP2D6USP30
SCHEMBL17460166 0.76 SCD5 (0.42) SCD5SCD
SCHEMBL425824 0.76 FAAH (0.40) FAAHSCD5SCDCES2CYP1A2
SCHEMBL424684 0.75 ALDH1A1 (0.45) FAAH
SCHEMBL426612 0.75 ALDH1A1 (0.51)
SCHEMBL28001352 0.73 TSHR (0.45) SCD5SCDUSP30
SCHEMBL428124 0.71 USP19 (0.48) FAAHCES2USP19
SCHEMBL425475 0.71 TACR3 (0.53) FAAHSCD5SCDCYP1A2
SCHEMBL424570 0.71 FAAH (0.44) FAAHCES2USP30USP19

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 1/4885SCD5 83/4885SCD 28/4885

“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.