SCHEMBL3000217

SCHEMBL3000217

CN1CCN(c2cc(N3CCc4ccc(-c5cnc(N6CCN(C(=O)O)CC6)nc5)cc4C3)nc(N)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.55
HTR3A P46098 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NUDT1 P36639 1/20 0.39

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
SCHEMBL3000724 0.88 HRH4 (0.50) HRH4
SCHEMBL2533790 0.87 HRH4 (0.59) HRH4HTR3AHRH3
SCHEMBL15254483 0.86 HRH4 (0.51) HRH4HTR3ANUDT1
SCHEMBL2492687 0.84 HRH4 (0.61) HRH4HTR3AHRH3NUDT1
SCHEMBL3001496 0.84 HRH4 (0.58) HRH4HTR3AHRH3NUDT1
SCHEMBL14922693 0.82 HRH4 (0.58) HRH4HTR3AHRH3NUDT1
SCHEMBL2516072 0.81 HRH4 (0.55) HRH4HTR3AHRH3
SCHEMBL2516219 0.81 HRH4 (0.50) HRH4HTR3A
SCHEMBL15254643 0.80 HRH4 (0.55) HRH4HTR3AHRH3NUDT1
SCHEMBL2492711 0.80 HRH4 (0.55) HRH4NUDT1

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-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US claimed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US claimed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US claimed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885HTR3A 170/4885HRH3 4/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885HTR3A 170/4885HRH3 4/4885

“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.