SCHEMBL19700705

SCHEMBL19700705

Nc1ccc2ccn(CCN3CCCC3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
HTR7 P34969 9/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
AHR P35869 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DRD2 P14416 2/20 0.39
MAOA P21397 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL31352381 0.82 HTR7 (0.53) HTR6HTR7MAPTKDM4EHTT
SCHEMBL1122373 0.80 HTR7 (0.57) HTR7
SCHEMBL19462388 0.79 HTR7 (0.60) HTR7MAPTKDM4EHTTMEN1
SCHEMBL12253689 0.78 HTR7 (0.56) HTR7
SCHEMBL215782 0.77 HTR7 (0.56) HTR7
SCHEMBL2116922 0.76 HDAC6 (0.47) HTR6HTR7MAPTKDM4EHTT
SCHEMBL4263907 0.75 HTR7 (0.54) HTR6HTR7
SCHEMBL2262498 0.75 HTR7 (0.54) HTR6HTR7
SCHEMBL2118310 0.75 SMN1; SMN2 (0.56) MAPTKDM4EHTTMEN1POLB
SCHEMBL24166800 0.75 TNF (0.53) HTR7MAPTKDM4EHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 HTR6 368/4885HTR7 1275/4885MAPT 3035/4885

“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.