SCHEMBL4401474

SCHEMBL4401474

CC1CC(c2ccccc2)(c2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
OPRM1 P35372 3/20 0.42
LMNA P02545 1/20 0.42
GRM6 O15303 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ACHE P22303 1/20 0.40
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 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
SCHEMBL4395795 0.97 MAPT (0.42) MAPTOPRM1LMNAGRM6SIGMAR1
SCHEMBL4396042 0.91 SIGMAR1 (0.41) MAPTOPRM1SIGMAR1
SCHEMBL11949296 0.91 LMNA (0.44) MAPTOPRM1LMNASIGMAR1ACHE
SCHEMBL4401549 0.87 HRH2 (0.51) SIGMAR1
SCHEMBL9068694 0.86 GRM6 (0.37) MAPTOPRM1LMNAGRM6SIGMAR1
SCHEMBL4391091 0.86 CYP3A4 (0.41) MAPTOPRM1SIGMAR1
SCHEMBL4401478 0.84 MAPT (0.43) MAPTOPRM1SIGMAR1TMEM97ACHE
SCHEMBL4400418 0.82 OPRD1 (0.47) MAPTOPRD1OPRK1
SCHEMBL4391046 0.80 MAPT (0.47) MAPTOPRM1LMNAGRM6SIGMAR1
SCHEMBL4396595 0.76 CYP3A4 (0.42) MAPTOPRM1SIGMAR1OPRD1OPRK1

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 465/4885LMNA 3392/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 MAPT 3666/4885OPRM1 465/4885LMNA 3392/4885

“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.