SCHEMBL787558

SCHEMBL787558

ClCc1cccc2c1oc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.54
DRD4 P21917 1/20 0.48
AHR P35869 3/20 0.44
KDM4E B2RXH2 4/20 0.43
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
PGAM1 P18669 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL2940461 0.92 ALOX5 (0.48) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL787256 0.82 ALOX5 (0.59) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL10109859 0.81 ALOX5 (0.58) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL17196260 0.81 ALOX5 (0.58) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL7962346 0.81 ALOX5 (0.54) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL7035976 0.78 ALDH1A1 (0.43) ALOX5AHRKDM4ECYP19A1CYP11B1
SCHEMBL21436953 0.78 ALOX5 (0.51) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL20982326 0.78 ALOX5 (0.51) ALOX5DRD4KDM4EMEN1KMT2A
SCHEMBL8374054 0.78 ALOX5 (0.55) ALOX5DRD4AHRKDM4ECYP19A1
SCHEMBL19768712 0.78 ALOX5 (0.51) ALOX5DRD4AHRKDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963028-B1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2018-08-01 EP disclosed
US-9278957-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2016-03-08 US disclosed
US-9278957-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2016-03-08 US disclosed
US-9278957-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2016-03-08 US disclosed
EP-2963028-A1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE Atir Holding S.A. (LU) 2016-01-06 EP disclosed
EP-2435414-B1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2015-08-19 EP disclosed
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GROEN AERONAUTICS CORPORATION 2015-04-09 US disclosed
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GROEN AERONAUTICS CORPORATION 2015-04-09 US disclosed
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GROEN AERONAUTICS CORPORATION 2015-04-09 US disclosed
US-8912196-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2014-12-16 US disclosed
US-8912196-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2014-12-16 US disclosed
US-8912196-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2014-12-16 US disclosed
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. 2012-03-22 US disclosed
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. 2012-03-22 US disclosed
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. 2012-03-22 US disclosed
WO-2010137018-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. (LU) 2010-12-02 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 (2 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-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 ALOX5 2150/4885DRD4 32/4885AHR 293/4885
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 ALOX5 2150/4885DRD4 32/4885AHR 293/4885

“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.