SCHEMBL4401549

SCHEMBL4401549

COc1ccc(CN2CC(c3ccccc3)(c3ccccc3)CC2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.51
SIGMAR1 Q99720 4/20 0.50
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44

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 0.90 MAPT (0.42) HRH2SIGMAR1
SCHEMBL4401474 0.87 MAPT (0.45) SIGMAR1
SCHEMBL4396042 0.85 SIGMAR1 (0.41) SIGMAR1CHRM2CHRM3
SCHEMBL11949296 0.85 LMNA (0.44) SIGMAR1
SCHEMBL4400418 0.82 OPRD1 (0.47)
SCHEMBL4391091 0.81 CYP3A4 (0.41) SIGMAR1
SCHEMBL9068694 0.81 GRM6 (0.37) SIGMAR1
SCHEMBL4401478 0.73 MAPT (0.43) SIGMAR1
SCHEMBL27979462 0.73 HRH2 (0.62) HRH2SIGMAR1CHRM2
SCHEMBL10554963 0.71 CYP19A1 (0.79) SIGMAR1CHRM2CHRM3

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 9 patents. 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
US-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 US disclosed
US-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 US disclosed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 US disclosed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 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 (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-20090156824-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 HRH2 8/4885SIGMAR1 501/4885CHRM2 132/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 HRH2 8/4885SIGMAR1 501/4885CHRM2 132/4885

“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.