SCHEMBL683051

SCHEMBL683051

COc1ccc(N2CCN(CC(N)=O)[C@@H](Cc3ccc(F)cc3)C2)c2ccc(C)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL2135884 0.92 HTR1A (0.38) HCRTR1HCRTR2ADORA2AADORA1KCNH2
SCHEMBL682654 0.92 HTR1A (0.38) HCRTR1HCRTR2ADORA2AADORA1KCNH2
SCHEMBL874748 0.90 PDE4B (0.42) —
SCHEMBL2141604 0.90 PDE4B (0.42) —
SCHEMBL874749 0.84 HTR1A (0.38) HCRTR1HCRTR2ADORA2AADORA1KCNH2
SCHEMBL682043 0.84 HTR1A (0.38) HCRTR1HCRTR2ADORA2AADORA1KCNH2
SCHEMBL683047 0.83 ADORA2A (0.35) ADORA2AADORA1KCNH2POLBLMNA
SCHEMBL683055 0.83 ADORA2A (0.35) CNR2ADORA2AADORA1KCNH2LMNA
SCHEMBL875420 0.83 ADORA2A (0.35) CNR2ADORA2AADORA1KCNH2LMNA
SCHEMBL874625 0.83 ADORA2A (0.35) ADORA2AADORA1KCNH2POLBLMNA

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 514/4885CNR2 334/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HCRTR1 225/4885HCRTR2 514/4885CNR2 334/4885

“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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