SCHEMBL16980486

SCHEMBL16980486

CC(C)C1(C)CCCN1C(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
GRM5 P41594 1/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.32
DPP4 P27487 3/20 0.32
HSD11B1 P28845 5/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
PITRM1 Q5JRX3 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
PIK3CD O00329 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16980483 0.78 DPP4 (0.35) TSHRDPP4
SCHEMBL4743137 0.78 DPP4 (0.35) TSHRDPP4
SCHEMBL16563021 0.78 DPP4 (0.35) TSHRDPP4
SCHEMBL4741427 0.76 HTT (0.38) HTTALDH1A1GAALMNAKDM4E
SCHEMBL10187244 0.75 DPP4 (0.36) TSHRDPP4
SCHEMBL4742352 0.75 DPP4 (0.36) TSHRDPP4
SCHEMBL4742512 0.74 DPP4 (0.38) ALDH1A1TSHRDPP4
SCHEMBL4743121 0.74 CYP1A2 (0.41) ALDH1A1TSHRDPP4
SCHEMBL4742170 0.74 CYP1A2 (0.41) ALDH1A1TSHR
SCHEMBL4742521 0.74 POLB (0.38) ALDH1A1TSHRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR 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
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 (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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 HPGD 523/4885GRM5 424/4885HTT 4044/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT HPGD 1930/4885GRM5 2867/4885HTT 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.