SCHEMBL2805266

SCHEMBL2805266

CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)N[C@H](Cc3ccccc3)C(=O)N(C)C)CC4)nc(N)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.48
HTR3A P46098 1/20 0.48
PSMB1 P20618 1/20 0.41
PSMB2 P49721 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL13125543 1.00 HRH4 (0.48) HRH4HTR3APSMB1PSMB2HRH2
SCHEMBL2803638 0.93 HRH4 (0.51) HRH4HTR3APSMB1PSMB2HRH2
SCHEMBL2803643 0.93 HRH4 (0.51) HRH4HTR3APSMB1PSMB2HRH2
SCHEMBL13125542 0.90 HRH4 (0.48) HRH4HTR3APSMB1PSMB2
SCHEMBL2804915 0.84 HRH4 (0.53) HRH4HTR3AHRH2HRH1HRH3
SCHEMBL2805946 0.83 HRH4 (0.53) HRH4HTR3AHRH3
SCHEMBL2809997 0.83 HRH4 (0.52) HRH4HTR3AHRH3
SCHEMBL3715476 0.82 HRH4 (0.51) HRH4HTR3AHRH1
SCHEMBL2807456 0.81 HRH4 (0.55) HRH4HTR3AHRH3
SCHEMBL2805878 0.81 HRH4 (0.50) HRH4HTR3AHRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US claimed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US claimed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US claimed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 HRH4 1/4885HTR3A 205/4885PSMB1 1922/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 HRH4 1/4885HTR3A 336/4885PSMB1 2018/4885

“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.