SCHEMBL14606255

SCHEMBL14606255

Cc1ncc(OCCN(C)C)cn1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.53
▸ CHRNA4 P43681 3/20 0.53
▸ MAPT P10636 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.48
▸ LTA4H P09960 2/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47

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
SCHEMBL3361766 0.82 CHRNB2 (0.59) CHRNB2CHRNA4MAPTHRH3LTA4H
SCHEMBL14572016 0.79 CHRNB2 (0.49) CHRNB2CHRNA4MAPTHRH3LTA4H
SCHEMBL26796046 0.79 CHRNB2 (0.49) CHRNB2CHRNA4MAPTHRH3LTA4H
SCHEMBL29340538 0.79 CHRNB2 (0.49) CHRNB2CHRNA4MAPTHRH3LTA4H
SCHEMBL14308132 0.79 CHRNB2 (0.62) CHRNB2CHRNA4HRH3LTA4HKEAP1
SCHEMBL25903640 0.76 CHRNB2 (0.46) CHRNB2CHRNA4MAPTHRH3LTA4H
SCHEMBL17918919 0.76 LTA4H (0.41) MAPTLTA4H
SCHEMBL19503414 0.74 ALDH1A1 (0.46) MAPT
SCHEMBL16330599 0.74 CYP2D6 (0.47) MAPTLTA4H
SCHEMBL31445086 0.74 TAAR1 (0.46) LTA4H

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-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 — — 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CHRNB2 4699/4885CHRNA4 4867/4885MAPT 574/4885

“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