SCHEMBL23160983

SCHEMBL23160983

CN1CCN(c2cnc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.51
▸ HTR3A P46098 5/20 0.51
▸ MET P08581 7/20 0.43
▸ HTR3E A5X5Y0 2/20 0.39
▸ HTR3B O95264 2/20 0.39
▸ HTR3D Q70Z44 2/20 0.39
▸ HTR3C Q8WXA8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL18057396 0.85 HTR3A (0.48) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL23160982 0.83 DPP4 (0.41) HRH4METKDM4EALDH1A1HRH3
SCHEMBL23160996 0.83 CDK4 (0.35) HRH4HTR3AKDM4EALDH1A1
SCHEMBL23161886 0.83 LCK (0.38) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17255067 0.82 HRH4 (0.52) HRH4HTR3AMETKDM4E
SCHEMBL23160988 0.82 DPP4 (0.38) —
SCHEMBL23161884 0.82 HRH1 (0.42) HRH4HRH3
SCHEMBL17255017 0.82 HRH4 (0.44) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL20078423 0.81 HTR3A (0.50) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17255050 0.79 HRH4 (0.51) HRH4HTR3AMETHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — 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 (1 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-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3A 4237/4885MET 4428/4885

“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.

Send feedback