SCHEMBL16212879

SCHEMBL16212879

CC(C)C1CC(c2ccccc2)(c2ccccc2)CN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 2/20 0.37
MAOB P27338 9/20 0.34
MAOA P21397 8/20 0.34
KDM1A O60341 6/20 0.34
ALOX5 P09917 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL4390692 0.76 HTR2A (0.42) HTR2AOPRM1MAOBMAOADRD4
SCHEMBL4391087 0.66 HTR2A (0.48) CYP2D6HTR2ASMN1; SMN2OPRM1DRD4
SCHEMBL16707834 0.64 L3MBTL1 (0.43) CYP2D6SMN1; SMN2OPRM1MAOBMAOA
SCHEMBL16707822 0.64 L3MBTL1 (0.43) CYP2D6SMN1; SMN2OPRM1MAOBMAOA
SCHEMBL23376752 0.63 ALPL (0.30)
SCHEMBL12428091 0.63
SCHEMBL765950 0.63
SCHEMBL25978080 0.63 ALPL (0.30)
SCHEMBL17666180 0.63 SMN1; SMN2 (0.44) CYP2D6SMN1; SMN2OPRM1DRD4
SCHEMBL11463005 0.63 CYP2D6 (0.42) CYP2D6HTR2ASMN1; SMN2OPRM1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
WO-2014179648-A2 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-11-06 WO disclosed
WO-2014179648-A2 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-11-06 WO 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-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES HAO2, DUOX2, PDK2 CYP2D6 165/4885HTR2A 3115/4885SMN1; SMN2 2623/4885
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes HAO2, DUOX2, PDK2 CYP2D6 165/4885HTR2A 3115/4885SMN1; SMN2 2623/4885

“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.