SCHEMBL683405

SCHEMBL683405

CNC(=O)CN1CCN(c2ccc(OC)c3nc(C)ccc23)C[C@@H]1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.38
▸ HTR1D P28221 6/20 0.38
▸ HTR1B P28222 6/20 0.38
▸ SMPD3 Q9NY59 2/20 0.37
▸ HCRTR1 O43613 5/20 0.36
▸ HCRTR2 O43614 4/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL683077 0.92 HCRTR1 (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL682043 0.91 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL874749 0.91 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL682654 0.90 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL2135884 0.90 HTR1A (0.38) HTR1AHTR1DHTR1BSMPD3HCRTR1
SCHEMBL873811 0.89 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL682941 0.89 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL683076 0.85 ALDH1A1 (0.39) CYP3A4TSHRHSD17B10KDM4EALDH1A1
SCHEMBL874551 0.85 PDE4B (0.39) TSHRKDM4EALDH1A1HPGDPDE4A
SCHEMBL682040 0.83 TP53 (0.39) HTR1AHTR1DHTR1BSMPD3HCRTR1

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 4 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-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-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 HTR1A 491/4885HTR1D 594/4885HTR1B 611/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HTR1A 491/4885HTR1D 594/4885HTR1B 611/4885

“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.

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