SCHEMBL3603926

SCHEMBL3603926

CCOC(=O)c1cn(C)c2c1CCc1c-2cnn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 4/20 0.43
PDE4B Q07343 1/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL3599697 0.82 MAPK1 (0.45) LMNANPC1SMN1; SMN2KMT2ACYP19A1
SCHEMBL6792645 0.80 CCNA2 (0.54) SMN1; SMN2CYP19A1MAPK1ALDH1A1POLB
SCHEMBL3603809 0.79 ALDH1A1 (0.46) LMNASMN1; SMN2CYP19A1MAPK1TSHR
SCHEMBL6792450 0.74 CCNA2 (0.50) CYP19A1ALDH1A1KDM4E
SCHEMBL6634331 0.73 CCNA2 (0.49) CYP19A1ALDH1A1KDM4E
SCHEMBL3599716 0.73 CCNA2 (0.60) KMT2AALDH1A1
SCHEMBL21332805 0.72 SMN1; SMN2 (0.77) LMNANPC1SMN1; SMN2KMT2ACYP19A1
SCHEMBL3491679 0.72 ALDH1A1 (0.65) LMNANPC1SMN1; SMN2KMT2ACYP19A1
SCHEMBL15920987 0.71 SMN1; SMN2 (0.61) LMNANPC1SMN1; SMN2KMT2ACYP19A1
SCHEMBL13495282 0.71 SMN1; SMN2 (0.61) LMNANPC1SMN1; SMN2KMT2ACYP19A1

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-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 LMNA 3538/4885NPC1 1688/4885SMN1; SMN2 4121/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B LMNA 711/4885NPC1 345/4885SMN1; SMN2 599/4885

“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.