SCHEMBL621784

SCHEMBL621784

CCCCOC(=O)N1CCCc2[nH]c3ccc(-c4cccnc4)cc3c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PABPC1 P11940 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDR P35968 3/20 0.47
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
DYRK1A Q13627 2/20 0.41
HTR6 P50406 2/20 0.40
BAZ2B Q9UIF8 1/20 0.40
KMT2A Q03164 1/20 0.40
CFTR P13569 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
WNT1 P04628 1/20 0.40
CLK2 P49760 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
SCHEMBL3716439 0.87 LMNA (0.67) LMNAPABPC1ATMSMN1; SMN2MMP2
SCHEMBL10127723 0.84 KDR (0.48) LMNAPABPC1ATMSMN1; SMN2KDR
SCHEMBL13356256 0.83 KDR (0.48) LMNAPABPC1ATMSMN1; SMN2KDR
SCHEMBL620196 0.82 LMNA (0.74) LMNAPABPC1ATMSMN1; SMN2KDR
SCHEMBL12868022 0.82 LMNA (0.53) LMNAPABPC1ATMSMN1; SMN2MMP2
SCHEMBL620113 0.81 BAZ2B (0.58) LMNAPABPC1ATMSMN1; SMN2KDR
SCHEMBL31117508 0.79 LMNA (0.50) LMNAPABPC1ATMSMN1; SMN2HTR6
SCHEMBL31117568 0.75 CDK4 (0.52) KDRHTR6BAZ2BCFTRTRPV1
SCHEMBL31117577 0.74 TRPV1 (0.56) CFTRTRPV1CDK4CCND1
SCHEMBL620615 0.74 LMNA (0.87) LMNAPABPC1ATMSMN1; SMN2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP 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 (1 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC LMNA 2065/4885PABPC1 2188/4885ATM 4585/4885

“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.