SCHEMBL8367481

SCHEMBL8367481

CCC1C(=O)NCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
RET P07949 1/20 0.43
RECQL P46063 1/20 0.43
PRCP P42785 5/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
PDPK1 O15530 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
GID4 Q8IVV7 1/20 0.40
AGTR1 P30556 1/20 0.40
SLC22A1 O15245 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6301812 0.80 TSHR (0.47) HTR2ARETPRCPPDPK1PARP1
SCHEMBL17457429 0.79 GID4 (0.44) HTR2ARECQLPRCPHTR2CHTR2B
SCHEMBL2275422 0.78 HTR2A (0.50) HTR2ARECQLPRCPHTR2CHTR2B
SCHEMBL2060754 0.78 HTR2C (0.52) HTR2AHTR2CHTR2BOPRM1OPRK1
SCHEMBL1870242 0.76 HTR2A (0.53) HTR2ARETPRCPHTR2CPDPK1
SCHEMBL4127623 0.75 ANPEP (0.50) HTR2ARECQLPRCPHTR2CHTR2B
SCHEMBL4117416 0.75 ANPEP (0.50) HTR2ARECQLPRCPHTR2CHTR2B
SCHEMBL4108357 0.75 ANPEP (0.50) HTR2ARECQLPRCPHTR2CHTR2B
SCHEMBL7772712 0.74 PRCP (0.42) HTR2ARECQLPRCPHTR2CHTR2B
SCHEMBL14178994 0.74 PDPK1 (0.45) HTR2ARECQLPRCPHTR2CHTR2B

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-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 HTR2A 2778/4885RET 4221/4885RECQL 4031/4885

“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.