SCHEMBL16712955

SCHEMBL16712955

O=C(Nc1cccc(-c2ccncc2)c1)C1COc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.69
ROCK2 O75116 9/20 0.59
ROCK1 Q13464 1/20 0.58
RPS6KB1 P23443 1/20 0.55
AKT1 P31749 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
GPR142 Q7Z601 1/20 0.51
TP53 P04637 1/20 0.46

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
SCHEMBL22158299 0.83 ROCK2 (0.75) MAOBROCK2ROCK1RPS6KB1TP53
SCHEMBL1986301 0.78 ROCK2 (0.67) MAOBROCK2ROCK1HDAC1HDAC2
SCHEMBL12562026 0.75 MAOB (0.68) MAOBROCK2RPS6KB1HDAC1HDAC2
SCHEMBL28637459 0.74 ROCK2 (0.65) MAOBROCK2RPS6KB1HDAC1HDAC2
SCHEMBL1990908 0.74 ROCK2 (1.00) ROCK2ROCK1RPS6KB1
SCHEMBL17737363 0.74 MAOB (0.52) MAOBROCK2ROCK1RPS6KB1HDAC1
SCHEMBL22158349 0.72 ROCK2 (0.58) MAOBROCK2RPS6KB1HDAC1HDAC2
SCHEMBL22158319 0.72 MAOB (0.68) MAOBROCK2ROCK1RPS6KB1ADORA2A
SCHEMBL22165399 0.72 MAOB (0.68) MAOBROCK2RPS6KB1TP53
SCHEMBL30292017 0.72 MAOB (0.68) MAOBROCK2RPS6KB1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
WO-2015070170-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-05-14 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-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA MAOB 267/4885ROCK2 2/4885ROCK1 1/4885

“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.