SCHEMBL4401478

SCHEMBL4401478

CC1CCC(c2ccccc2)(c2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
OPRM1 P35372 3/20 0.42
DRD4 P21917 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
ACHE P22303 1/20 0.41
OPRL1 P41146 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL4401474 0.84 MAPT (0.45) MAPTOPRM1ACHESIGMAR1TMEM97
SCHEMBL28711007 0.81 MAPT (0.45) MAPTACHESIGMAR1TMEM97
SCHEMBL21057421 0.81 MAPT (0.45) MAPTACHESIGMAR1TMEM97
SCHEMBL4395795 0.81 MAPT (0.42) MAPTOPRM1DRD4SIGMAR1TMEM97
SCHEMBL4396042 0.77 SIGMAR1 (0.41) MAPTOPRM1DRD4SIGMAR1
SCHEMBL11949296 0.77 LMNA (0.44) MAPTOPRM1ACHESIGMAR1
SCHEMBL4401549 0.73 HRH2 (0.51) SIGMAR1
SCHEMBL20588229 0.73 ACHE (0.56) MAPTACHESIGMAR1
SCHEMBL6853255 0.73 ACHE (0.56) MAPTACHESIGMAR1
SCHEMBL4391091 0.72 CYP3A4 (0.41) MAPTOPRM1HTTOPRL1SIGMAR1

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 MAPT 3666/4885OPRM1 465/4885DRD4 272/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 MAPT 3666/4885OPRM1 465/4885DRD4 272/4885

“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.