SCHEMBL1312993

SCHEMBL1312993

COc1cc(C(=O)NCC2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.52
F10 P00742 15/20 0.51
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 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
SCHEMBL1314336 0.94 F10 (0.54) HTR4F10
SCHEMBL1315656 0.92 F10 (0.50) HTR4F10KCNH2CACNA1I
SCHEMBL1313524 0.88 F10 (0.52) HTR4F10HTR7KCNH2CACNA1I
SCHEMBL1315980 0.87 F10 (0.48) HTR4F10HTR7KCNH2CACNA1I
SCHEMBL1314816 0.86 USP30 (0.49) HTR4F10KCNH2CACNA1I
SCHEMBL1313591 0.83 HDAC3 (0.55)
SCHEMBL1314517 0.82 HTR7 (0.49) F10HTR7
SCHEMBL12116463 0.82 HTR4 (0.59) HTR4F10
SCHEMBL1313238 0.82 HDAC3 (0.45) F10HTR7POLBKCNH2CACNA1I
SCHEMBL1316537 0.81 CACNA1I (0.54) KCNH2CACNA1I

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 7 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
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 HTR4 2748/4885F10 4375/4885HTR7 2791/4885

“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.