SCHEMBL424186

SCHEMBL424186

CN(C(=O)n1cnc(-c2ccc(OCCN3CCNCC3)cc2)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
CES2 O00748 1/20 0.52
JAK2 O60674 1/20 0.44
SYK P43405 1/20 0.44
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTA4H P09960 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
QPCT Q16769 1/20 0.40

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
Hydrochloric Acid SCHEMBL446668 0.99 FAAH (0.51) FAAHCES2JAK2SYKHTR2A
SCHEMBL426063 0.93 FAAH (0.55) FAAHCES2SYKHTR2AKDM4E
SCHEMBL425987 0.91 FAAH (0.53) FAAHCES2JAK2SYKKDM4E
SCHEMBL427723 0.90 FAAH (0.52) FAAHCES2SYKKDM4EALDH1A1
SCHEMBL425150 0.85 FAAH (0.47) FAAHCES2KDM4EALDH1A1MAPT
SCHEMBL425980 0.84 FAAH (0.54) FAAHCES2TDP1
SCHEMBL16439280 0.83 FAAH (0.47) FAAHCES2HTR2A
SCHEMBL427759 0.81 LTA4H (0.47) FAAHKDM4EALDH1A1MAPTTDP1
SCHEMBL425988 0.81 FAAH (0.54) FAAHCES2KDM4EAVPR1B
Hydrochloric Acid SCHEMBL446616 0.81 FAAH (0.53) FAAHCES2KDM4EAVPR1B

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 4 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-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 62/4885JAK2 3335/4885

“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.