SCHEMBL19852376

SCHEMBL19852376

c1ccc(N2CC3CC(C2)N3)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.57
CHRNA3 P32297 6/20 0.57
BPTF Q12830 1/20 0.55
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL19852275 0.89 CHRNB2 (0.62) CHRNB4CHRNA3BPTFCHRNB2CHRNA4
SCHEMBL19839303 0.89 CHRNB2 (0.62) CHRNB4CHRNA3BPTFCHRNB2CHRNA4
SCHEMBL31127631 0.77 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12663143 0.76 BPTF (0.53) CHRNA3BPTFCHRNB2CHRNA4HTR3E
SCHEMBL800968 0.76 BPTF (0.53) CHRNA3BPTFCHRNB2CHRNA4HTR3E
SCHEMBL8342001 0.76 BPTF (0.53) CHRNB4CHRNA3BPTFCHRNB2CHRNA4
SCHEMBL5995974 0.74 CHRNB4 (1.00) CHRNB4CHRNA3
SCHEMBL24989415 0.74 HRH3 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22187756 0.73 NOTUM (0.51) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL24243037 0.73 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C CHRNB4 97/4885CHRNA3 61/4885BPTF 2707/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C CHRNB4 97/4885CHRNA3 61/4885BPTF 2707/4885

“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.