SCHEMBL20249103

SCHEMBL20249103

CC(C)(C)c1ncc(N2CCNCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.50
CHRNA4 P43681 12/20 0.50
ADRB1 P08588 2/20 0.44
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL26795893 0.82 CHKA (0.39) CHRNB2CHRNA4
SCHEMBL26796002 0.82 LCAT (0.37) CHRNB2CHRNA4
SCHEMBL3922776 0.81 CHRNB2 (0.54) CHRNB2CHRNA4ADRB1ADRB2NCF1
SCHEMBL26795881 0.81 MAPT (0.41) CHRNB2CHRNA4
SCHEMBL24925561 0.79 HTR3A (0.46) HTR3A
SCHEMBL20311310 0.79 CHRNB2 (0.59) CHRNB2CHRNA4ADRB1ADRB2NCF1
SCHEMBL14602885 0.78 CNR2 (0.44)
SCHEMBL12145921 0.77 CHRNB2 (0.58) CHRNB2CHRNA4ADRB1ADRB2NCF1
SCHEMBL26796070 0.76 KDM4E (0.47)
SCHEMBL26796058 0.75 CHRNA7 (0.49)

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-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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 (3 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CHRNB2 4863/4885CHRNA4 4628/4885ADRB1 3287/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CHRNB2 4706/4885CHRNA4 4721/4885ADRB1 853/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CHRNB2 4706/4885CHRNA4 4721/4885ADRB1 853/4885

“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.