SCHEMBL873202

SCHEMBL873202

COc1ccc(Br)cc1O[C@@H]1CCN(C)C1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.49
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
ERBB2 P04626 1/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47

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
SCHEMBL681762 1.00 UTS2R (0.49) UTS2RPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL872104 1.00 UTS2R (0.49) UTS2RPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL682835 0.93 KDM4E (0.44)
SCHEMBL14862794 0.87 UTS2R (0.45) UTS2R
SCHEMBL133005 0.82 PDE4A (0.50)
SCHEMBL31096114 0.82 PDE4A (0.50)
SCHEMBL24714032 0.82 NOS3 (0.45) UTS2R
SCHEMBL30820568 0.82 NOS3 (0.45) UTS2R
SCHEMBL20439452 0.82 FPR2 (0.53) UTS2R
SCHEMBL7031279 0.82 PIK3CD (0.48) UTS2RPIK3CDPIK3CAPIK3CBPIK3CG

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-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-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
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D UTS2R 2369/4885PIK3CD 296/4885PIK3CA 403/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D UTS2R 2369/4885PIK3CD 296/4885PIK3CA 403/4885

“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.