SCHEMBL882600

SCHEMBL882600

O=C(Cc1cnc[nH]1)N1CCN(c2ccc(OC(F)F)c(OC(F)F)c2)C[C@@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
FNTA P49354 7/20 0.42
FNTB P49356 7/20 0.42
MMP2 P08253 1/20 0.41
MMP10 P09238 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
CYP2C9 P11712 1/20 0.38
P2RX7 Q99572 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL2141438 1.00 S1PR1 (0.43) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL882377 0.92 PDE4D (0.44) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL2137798 0.92 PDE4D (0.44) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL683017 0.89 FNTA (0.43) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL878073 0.89 FNTA (0.43) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL876730 0.85 PDE4B (0.43) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL682679 0.85 PDE4B (0.43) S1PR1CYP3A4CYP2D6FNTAFNTB
SCHEMBL873460 0.82 NR1H2 (0.43) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL683079 0.82 NR1H2 (0.43) NR1H2NR1H3PDE4APDE4BPDE4C
SCHEMBL877084 0.81 NR1H2 (0.40) NR1H2NR1H3PDE4APDE4BPDE4C

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 13 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
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-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
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

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 S1PR1 330/4885CYP3A4 754/4885CYP2D6 3447/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D S1PR1 330/4885CYP3A4 754/4885CYP2D6 3447/4885

“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.