SCHEMBL3517254

SCHEMBL3517254

CCOC(=O)C1(C(=O)Nc2ccccc2N)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CNR2 P34972 1/20 0.44
HDAC1 Q13547 13/20 0.42
HDAC3 O15379 11/20 0.42
HDAC2 Q92769 11/20 0.42
MAPK1 P28482 1/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
NCOR2 Q9Y618 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NCOR1 O75376 2/20 0.41
CDC25B P30305 2/20 0.40
CETP P11597 1/20 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
SCHEMBL2151745 0.75 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL9416749 0.75 TEK (0.48) SMN1; SMN2ALDH1A1
SCHEMBL10631054 0.75 MEN1 (0.54) SMN1; SMN2ALDH1A1
SCHEMBL9178424 0.74 ALDH1A1 (0.62) SMN1; SMN2HDAC1HDAC3HDAC2MAPK1
SCHEMBL12492854 0.74 PPID (0.53) SMN1; SMN2ALDH1A1
SCHEMBL3209789 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9416860 0.72 MAPT (0.47) SMN1; SMN2ALDH1A1
SCHEMBL13483586 0.72 MME (0.50) SMN1; SMN2ALDH1A1
SCHEMBL9416763 0.72 USP2 (0.47) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9416897 0.71 MEN1 (0.44) SMN1; SMN2ALDH1A1

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
EP-2254873-B1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2014-06-04 EP disclosed
US-8664217-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. 2013-02-14 US disclosed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 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-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 SMN1; SMN2 3629/4885CNR2 165/4885HDAC1 1559/4885
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 SMN1; SMN2 3629/4885CNR2 165/4885HDAC1 1559/4885

“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.