SCHEMBL4396595

SCHEMBL4396595

CC1CC(c2ccccc2)(c2ccccc2)CN1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CHRM3 P20309 1/20 0.40
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 8/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CYP19A1 P11511 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 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 0.76 MAPT (0.42) MAPTSIGMAR1OPRM1OPRK1OPRD1
SCHEMBL4401474 0.76 MAPT (0.45) MAPTSIGMAR1OPRM1OPRK1OPRD1
SCHEMBL4396042 0.71 SIGMAR1 (0.41) CHRM3MAPTSIGMAR1OPRM1ALDH1A1
SCHEMBL11949296 0.71 LMNA (0.44) MAPTSIGMAR1OPRM1ALDH1A1POLB
SCHEMBL4390734 0.71 OPRM1 (0.48) MAPTOPRM1OPRK1OPRD1ALDH1A1
SCHEMBL4401549 0.69 HRH2 (0.51) CHRM3SIGMAR1
SCHEMBL4391091 0.68 CYP3A4 (0.41) CYP3A4MAPTSIGMAR1OPRM1OPRL1
SCHEMBL9068694 0.68 GRM6 (0.37) MAPTSIGMAR1OPRM1CYP19A1
SCHEMBL11479464 0.66 CHRM3 (0.45) CYP3A4CHRM3SIGMAR1OPRM1OPRK1
Hydrochloric Acid SCHEMBL10380094 0.65 SIGMAR1 (0.45) CYP3A4CHRM3SIGMAR1OPRM1OPRL1

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 CYP3A4 685/4885CHRM3 49/4885MAPT 3666/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 CYP3A4 685/4885CHRM3 49/4885MAPT 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.