SCHEMBL11949296

SCHEMBL11949296

Cc1ccc(CN2CC(c3ccccc3)(c3ccccc3)CC2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.39
SIGMAR1 Q99720 4/20 0.38
ACHE P22303 3/20 0.37
BACE1 P56817 3/20 0.37
CXCR3 P49682 1/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH1 P35367 1/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4395795 0.94 MAPT (0.42) LMNAMAPTSIGMAR1OPRM1
SCHEMBL4401474 0.91 MAPT (0.45) LMNAMAPTSIGMAR1ACHEOPRM1
SCHEMBL4396042 0.89 SIGMAR1 (0.41) MAPTSIGMAR1OPRM1MEN1KMT2A
SCHEMBL4401549 0.85 HRH2 (0.51) SIGMAR1
SCHEMBL9068694 0.84 GRM6 (0.37) LMNAMAPTSIGMAR1CXCR3OPRM1
SCHEMBL4391091 0.84 CYP3A4 (0.41) MAPTSIGMAR1OPRM1MEN1KMT2A
SCHEMBL4400418 0.80 OPRD1 (0.47) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4401478 0.77 MAPT (0.43) MAPTSIGMAR1ACHEOPRM1
SCHEMBL4391046 0.72 MAPT (0.47) LMNAMAPTSIGMAR1ACHEOPRM1
SCHEMBL4396595 0.71 CYP3A4 (0.42) POLBMAPTSIGMAR1OPRM1ALDH1A1

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-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 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-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 LMNA 3392/4885POLB 1285/4885MAPT 3666/4885

“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.