SCHEMBL4400418

SCHEMBL4400418

COC(=O)c1ccc(CN2CC(c3ccccc3)(c3ccccc3)CC2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MDM2 Q00987 1/20 0.43
GRIN2B Q13224 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KDM1A O60341 1/20 0.42
TP53 P04637 1/20 0.42

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 0.85 MAPT (0.42) OPRD1OPRK1MAPT
SCHEMBL4401474 0.82 MAPT (0.45) OPRD1OPRK1MAPT
SCHEMBL4401549 0.82 HRH2 (0.51)
SCHEMBL11949296 0.80 LMNA (0.44) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL4396042 0.80 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1MAPT
SCHEMBL9068694 0.78 GRM6 (0.37) MAPTTP53
SCHEMBL20304754 0.72 PDK1 (0.50) KDM4EKMT2AMEN1SIRT1
SCHEMBL17078685 0.71 HDAC1 (0.58) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20305034 0.71 L3MBTL1 (0.51) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17078776 0.71 HDAC1 (0.58) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1

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 5 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-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

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 OPRD1 928/4885OPRK1 416/4885KDM4E 2924/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 OPRD1 928/4885OPRK1 416/4885KDM4E 2924/4885

“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.