SCHEMBL1315980

SCHEMBL1315980

COc1cc(C(=O)NCC2CCN(Cc3cc(-c4c(Cl)cccc4Cl)no3)CC2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.48
HTR4 Q13639 5/20 0.47
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
HTR7 P34969 1/20 0.45
TP53 P04637 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL1314816 0.91 USP30 (0.49) F10HTR4DRD4DRD2KCNH2
SCHEMBL1315656 0.90 F10 (0.50) F10HTR4DRD4DRD2KCNH2
SCHEMBL1313524 0.90 F10 (0.52) F10HTR4KCNH2CACNA1IHTR7
SCHEMBL1314336 0.89 F10 (0.54) F10HTR4
SCHEMBL1312993 0.87 HTR4 (0.52) F10HTR4KCNH2CACNA1IHTR7
SCHEMBL1314517 0.81 HTR7 (0.49) F10HTR7HDAC3HDAC4HDAC1
SCHEMBL12116463 0.80 HTR4 (0.59) F10HTR4DRD4DRD2HDAC3
SCHEMBL1313238 0.80 HDAC3 (0.45) F10DRD4DRD2KCNH2CACNA1I
SCHEMBL1316537 0.79 CACNA1I (0.54) KCNH2CACNA1IHDAC3HDAC4HDAC1
SCHEMBL1313102 0.79 POLB (0.55) F10DRD4DRD2

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-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 F10 4375/4885HTR4 2748/4885DRD4 838/4885

“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.