SCHEMBL10035309

SCHEMBL10035309

C[C@@H](c1ccccc1)N1CN([C@@H](C)c2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
MC4R P32245 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
HSD11B1 P28845 2/20 0.40
OPRD1 P41143 1/20 0.40
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 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
SCHEMBL12651571 0.88 CYP2D6 (0.47) CYP2D6MC4RALDH1A1POLBKMT2A
SCHEMBL16525749 0.77 HPGD (0.37) CYP2D6ALDH1A1OPRM1HSD17B10KDM4E
SCHEMBL5847681 0.75 SLC6A2 (0.54) CYP2D6MC4RALDH1A1KMT2AOPRM1
SCHEMBL5355369 0.75 CYP2D6 (0.74) CYP2D6MC4RALDH1A1POLBKMT2A
Bromide SCHEMBL28911957 0.75 HPGD (0.36) CYP2D6ALDH1A1OPRM1HSD17B10KDM4E
Bicarbonate SCHEMBL22393229 0.72 ALOX15 (0.40) CYP2D6POLBKMT2AHPGD
SCHEMBL5848884 0.72 SLC6A2 (0.45) CYP2D6MC4RALDH1A1POLBKMT2A
SCHEMBL5848485 0.72 SLC6A2 (0.56) CYP2D6MC4RALDH1A1POLBKMT2A
SCHEMBL12846188 0.71 CYP2D6 (0.56) CYP2D6MC4RALDH1A1POLBKMT2A
SCHEMBL20034096 0.71 CYP2D6 (0.56) CYP2D6MC4RALDH1A1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (1 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-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 CYP2D6 262/4885MC4R 4816/4885ALDH1A1 28/4885

“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.