SCHEMBL11323331

SCHEMBL11323331

CC(C)(C)C(=O)NC1(c2ccccc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.50
AKR1C1 Q04828 1/20 0.44
TACR3 P29371 2/20 0.44
HDAC4 P56524 2/20 0.44
POLB P06746 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR1 P25103 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11311482 0.98 SSTR4 (0.52) SSTR4AKR1C1TACR3HDAC4POLB
SCHEMBL12666547 0.93 POLB (0.46) SSTR4AKR1C1TACR3POLBHDAC3
SCHEMBL7306487 0.86 SSTR4 (0.44) SSTR4POLBHDAC1ALDH1A1KDM4E
SCHEMBL11321520 0.85 PDE2A (0.40) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL11310178 0.83 SSTR4 (0.50) SSTR4AKR1C1TACR3HDAC4POLB
SCHEMBL13626300 0.81 POLB (0.61) SSTR4AKR1C1TACR3HDAC4POLB
SCHEMBL3560390 0.80 SSTR4 (0.56) SSTR4AKR1C1TACR3HDAC4POLB
SCHEMBL89721 0.80 SSTR4 (0.50) SSTR4AKR1C1TACR3HDAC4POLB
SCHEMBL11692509 0.79 POLB (0.60) SSTR4AKR1C1TACR3HDAC4POLB
SCHEMBL7306529 0.79 DPP4 (0.53) POLBALDH1A1HSD17B10

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-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US disclosed
US-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US disclosed
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-08 US disclosed
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-08 US disclosed
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-19 US disclosed
US-4270002-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-05-26 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-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 SSTR4 3333/4885AKR1C1 1088/4885TACR3 4058/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 SSTR4 3333/4885AKR1C1 1088/4885TACR3 4058/4885

“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.