SCHEMBL24352018

SCHEMBL24352018

CC(C)N1C(C)CN(C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
RIPK1 Q13546 10/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL13698414 0.76 ATM (0.32) ATM
SCHEMBL24352019 0.75 RIPK1 (0.33) HRH3RIPK1CHRNA7CHRNB2CHRNB4
SCHEMBL20782183 0.69 BRD4 (0.44) HRH3ALDH1A1GRIN2DGRIN3BCHRM2
SCHEMBL23153281 0.69 RIPK1 (0.42) RIPK1ALDH1A1CHRM2CHRM1OPRM1
SCHEMBL20993582 0.68 HRH3 (0.42) HRH3RIPK1ALDH1A1CHRNA7CHRNB2
SCHEMBL13093645 0.68 CHRNB2 (0.51) HRH3RIPK1ALDH1A1CHRNA7CHRNB2
SCHEMBL14805887 0.67 HRH3 (0.48) HRH3CHRNA7GRIN2DGRIN3BCHRM2
SCHEMBL22765470 0.65 BPTF (0.44) HRH3ALDH1A1CHRNA7CHRNB2CHRNA3
SCHEMBL17618011 0.65 MAPT (0.44) ALDH1A1CHRM2
SCHEMBL23750604 0.65

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-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 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-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB HRH3 81/4885RIPK1 3732/4885ALDH1A1 3311/4885

“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.