SCHEMBL683017

SCHEMBL683017

COc1ccc(N2CCN(C(=O)Cc3cnc[nH]3)[C@@H](Cc3ccccc3)C2)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.43
FNTB P49356 11/20 0.43
S1PR1 P21453 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
MMP2 P08253 1/20 0.39
MMP10 P09238 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CCR5 P51681 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL878073 1.00 FNTA (0.43) FNTAFNTBS1PR1CYP3A4CYP2D6
SCHEMBL682679 0.89 PDE4B (0.43) FNTAFNTBS1PR1CYP3A4CYP2D6
SCHEMBL876730 0.89 PDE4B (0.43) FNTAFNTBS1PR1CYP3A4CYP2D6
SCHEMBL2141438 0.89 S1PR1 (0.43) FNTAFNTBS1PR1CYP3A4CYP2D6
SCHEMBL882600 0.89 S1PR1 (0.43) FNTAFNTBS1PR1CYP3A4CYP2D6
SCHEMBL877189 0.87 NR1H2 (0.39) FNTAFNTBNR1H2NR1H3CCR5
SCHEMBL877190 0.87 NR1H2 (0.39) FNTAFNTBNR1H2NR1H3CCR5
SCHEMBL683023 0.85 NR1H2 (0.43) NR1H2NR1H3CCR5TRPC6ABCB1
SCHEMBL2138237 0.85 NR1H2 (0.43) NR1H2NR1H3CCR5TRPC6ABCB1
SCHEMBL873399 0.84 NR1H2 (0.44) NR1H2NR1H3CCR5ABCB1

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 19 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 claimed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US claimed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US claimed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
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
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-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US 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
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US 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 FNTA 2876/4885FNTB 3229/4885S1PR1 330/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D FNTA 2876/4885FNTB 3229/4885S1PR1 330/4885

“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.