SCHEMBL682826

SCHEMBL682826

Cc1nn(C2CCCC2)c2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
GRM4 Q14833 1/20 0.39
PDE7A Q13946 14/20 0.37
PIK3CD O00329 1/20 0.36
PDGFRA P16234 1/20 0.35
CDK5 Q00535 1/20 0.35
TYRO3 Q06418 1/20 0.35

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
SCHEMBL17678230 0.97 ESR1 (0.40) ESR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL28410346 0.87 PIK3CD (0.47) PDE7APIK3CD
SCHEMBL25337095 0.87 GAA (0.42) PDE7APIK3CD
SCHEMBL30619300 0.87 PIK3CD (0.47) PDE7APIK3CD
SCHEMBL21251125 0.83 ESR1 (0.47) ESR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL18731899 0.81 ESR1 (0.42) ESR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL683162 0.81 ESR1 (0.40) ESR1
SCHEMBL2144493 0.81 GAA (0.41) HPGDPIK3CDPDGFRACDK5TYRO3
SCHEMBL30040235 0.81 GAA (0.41) HPGDPIK3CDPDGFRACDK5TYRO3
SCHEMBL6185088 0.80 ESR1 (0.42) ESR1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP disclosed
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-7781460-B2 Substituted indazoles as inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-08-24 US disclosed
US-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv RANBAXY LABORATORIES LIMITED (IN) 2008-12-18 US disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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 (4 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ESR1 3682/4885KDM4E 1159/4885ALDH1A1 1228/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 ESR1 3623/4885KDM4E 471/4885ALDH1A1 838/4885
US-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv PDE3B, PDE3A, PDE7A ESR1 4088/4885KDM4E 2914/4885ALDH1A1 499/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ESR1 3682/4885KDM4E 1159/4885ALDH1A1 1228/4885

“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.