SCHEMBL10199797

SCHEMBL10199797

CCCCN(Cc1ccccc1)C(=O)CO

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.61
CNR2 P34972 1/20 0.58
REN P00797 1/20 0.54
HDAC6 Q9UBN7 4/20 0.53
HDAC1 Q13547 3/20 0.53
PKM P14618 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
NCOR2 Q9Y618 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
LIMK1 P53667 1/20 0.51
LIMK2 P53671 1/20 0.51
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL14229453 0.87 LTB4R2 (0.62) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL10032155 0.87 CNR2 (0.73) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL1753870 0.86 HDAC6 (0.58) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL10777558 0.84 LTB4R2 (0.59) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL11050378 0.83 HDAC6 (0.56) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL2187349 0.83 HDAC6 (0.56) LTB4R2CNR2HDAC6HDAC1PKM
SCHEMBL10466773 0.83 CNR2 (0.54) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL14200343 0.83 CNR2 (0.54) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL22023396 0.83 CNR2 (0.67) LTB4R2CNR2RENHDAC6HDAC1
SCHEMBL11050338 0.83 LMNA (0.54) LTB4R2CNR2RENHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B LTB4R2 260/4885CNR2 27/4885REN 1401/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B LTB4R2 260/4885CNR2 27/4885REN 1401/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B LTB4R2 260/4885CNR2 27/4885REN 1401/4885

“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.