SCHEMBL12666604

SCHEMBL12666604

CC(C)(C)c1ccc(CNC2CCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
POLB P06746 1/20 0.54
KDM1A O60341 1/20 0.51
HDAC1 Q13547 1/20 0.50
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 2/20 0.44
CXCL12 P48061 1/20 0.44
CXCR4 P61073 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
GRIN2B Q13224 1/20 0.42

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
SCHEMBL12666606 0.96 HRH3 (0.62) HRH3POLBKDM1AHDAC1CYP2D6
SCHEMBL12666611 0.95 HRH3 (0.66) HRH3POLBKDM1AHDAC1CYP2D6
SCHEMBL2730914 0.93 KDM1A (0.54) HRH3POLBKDM1AHDAC1MEN1
SCHEMBL9782907 0.86 KDM1A (0.49) HRH3POLBKDM1AHDAC1MEN1
SCHEMBL9782901 0.86 KDM1A (0.49) HRH3POLBKDM1AHDAC1MEN1
SCHEMBL12449607 0.85 KDM1A (0.48) HRH3POLBKDM1AHDAC1MEN1
SCHEMBL12449604 0.83 LTA4H (0.53) HRH3POLBKDM1AHDAC1CYP2D6
SCHEMBL19650799 0.82 BCHE (0.61) HRH3POLBKDM1AHDAC1MEN1
SCHEMBL12449603 0.79 KDM1A (0.46) HRH3POLBKDM1AMEN1KMT2A
SCHEMBL9805954 0.79 KDM1A (0.41) HRH3POLBKDM1AHDAC1CYP2D6

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 5 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

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 HRH3 3009/4885POLB 3079/4885KDM1A 604/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 HRH3 3009/4885POLB 3079/4885KDM1A 604/4885

“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.