SCHEMBL428291

SCHEMBL428291

CN(C(=O)n1cnc(-c2cccnc2)c1)C1CCN(CC#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CES2 O00748 1/20 0.48
MTOR P42345 1/20 0.43
DYRK1A Q13627 2/20 0.41
CYP2E1 P05181 3/20 0.41
CYP2A6 P11509 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
USP30 Q70CQ3 3/20 0.38
UCHL1 P09936 2/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
AOC3 Q16853 2/20 0.37
ROS1 P08922 1/20 0.37

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
SCHEMBL7893697 0.91 FAAH (0.52) FAAHCES2USP30UCHL1GPR119
SCHEMBL424938 0.88 FAAH (0.52) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL424977 0.87 FAAH (0.50) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL427509 0.87 FAAH (0.50) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL428099 0.85 DRD2 (0.50) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL426233 0.84 FAAH (0.45) FAAHCES2MTORUSP30NOS2
SCHEMBL426094 0.84 FAAH (0.66) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL428037 0.83 FAAH (0.47) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL427415 0.83 DRD2 (0.52) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL427505 0.83 FAAH (0.52) FAAHCES2DYRK1ACYP2E1CYP2A6

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 62/4885MTOR 2894/4885

“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.