SCHEMBL16982012

SCHEMBL16982012

CC(C)c1ccc(C(C)N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.56
MC4R P32245 1/20 0.48
HPGD P15428 2/20 0.47
LTA4H P09960 1/20 0.46
CHRM2 P08172 7/20 0.45
CHRM1 P11229 7/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL13247637 0.87 CYP2D6 (0.52) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL3576037 0.87 CYP2D6 (0.52) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL6882632 0.85 CYP2D6 (0.50) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL22206767 0.85 CHRM2 (0.57) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL22206739 0.85 CHRM2 (0.57) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL16270668 0.84 CHRM2 (0.54) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL2735673 0.84 CHRM2 (0.54) CYP2D6MC4RLTA4HCHRM2CHRM1
Hydrochloric Acid SCHEMBL8786948 0.84 CYP2D6 (0.48) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL3041069 0.83 CYP2D6 (0.52) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL6872559 0.83 CYP2D6 (0.52) CYP2D6MC4RLTA4HCHRM2CHRM1

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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 CYP2D6 67/4885MC4R 2465/4885HPGD 523/4885

“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.