SCHEMBL683077

SCHEMBL683077

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 9/20 0.38
▸ HCRTR2 O43614 6/20 0.38
▸ HTR1A P08908 5/20 0.37
▸ HTR1D P28221 5/20 0.37
▸ HTR1B P28222 5/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SMPD3 Q9NY59 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 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
SCHEMBL683405 0.92 HTR1A (0.38) HCRTR1HCRTR2HTR1AHTR1DHTR1B
SCHEMBL874749 0.90 HTR1A (0.38) HCRTR1HCRTR2HTR1AHTR1DHTR1B
SCHEMBL682043 0.90 HTR1A (0.38) HCRTR1HCRTR2HTR1AHTR1DHTR1B
SCHEMBL682939 0.89 PDE4B (0.42) HCRTR1HCRTR2
SCHEMBL873780 0.89 PDE4B (0.42) HCRTR1HCRTR2
SCHEMBL2135884 0.88 HTR1A (0.38) HCRTR1HCRTR2HTR1AHTR1DHTR1B
SCHEMBL682654 0.88 HTR1A (0.38) HCRTR1HCRTR2HTR1AHTR1DHTR1B
SCHEMBL683076 0.84 ALDH1A1 (0.39) —
SCHEMBL874551 0.83 PDE4B (0.39) —
SCHEMBL682040 0.81 TP53 (0.39) HCRTR1HCRTR2HTR1AHTR1DHTR1B

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 HCRTR1 225/4885HCRTR2 514/4885HTR1A 491/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCRTR1 225/4885HCRTR2 514/4885HTR1A 491/4885

“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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