SCHEMBL1313591

SCHEMBL1313591

O=C(NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.55
HDAC4 P56524 6/20 0.55
HDAC1 Q13547 6/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC8 Q9BY41 6/20 0.55
HDAC6 Q9UBN7 6/20 0.55
HDAC9 Q9UKV0 6/20 0.55
HDAC5 Q9UQL6 6/20 0.55
CHRM4 P08173 2/20 0.52
USP30 Q70CQ3 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MCHR1 Q99705 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CCR3 P51677 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
SCHEMBL1316537 0.87 CACNA1I (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1314099 0.87 CACNA1I (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15948271 0.86 USP30 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1313513 0.85 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2517303 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12112336 0.84 USP30 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1316192 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1312993 0.83 HTR4 (0.52)
SCHEMBL1314432 0.83 USP30 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1315656 0.83 F10 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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 8 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-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
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

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 HDAC3 1504/4885HDAC4 933/4885HDAC1 383/4885

“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.