SCHEMBL2992673

SCHEMBL2992673

CCOC(=O)N1CCc2sccc2[C@@H](OC)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM1 P11229 1/20 0.40
HHAT Q5VTY9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4B Q07343 1/20 0.39
HTT P42858 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
SCHEMBL2992674 1.00 BRD4 (0.43) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL2992670 1.00 BRD4 (0.43) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL2994360 0.85 SMN1; SMN2 (0.42) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL1181974 0.85 NOS3 (0.43) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL2994354 0.85 SMN1; SMN2 (0.42) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL2994358 0.85 SMN1; SMN2 (0.42) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL1181973 0.85 NOS3 (0.43) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL1181699 0.85 NOS3 (0.43) BRD4SMN1; SMN2HSD17B10CHRM1HHAT
SCHEMBL3302731 0.84 HHAT (0.44) HHATLMNANPSR1
SCHEMBL4749248 0.84 HHAT (0.44) HHATLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 EP disclosed
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators BENNANI YOUSSEF L 2010-07-29 US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 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-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators HTR5A, HTR4, HTR7 BRD4 977/4885SMN1; SMN2 4252/4885HSD17B10 2187/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C BRD4 1006/4885SMN1; SMN2 4290/4885HSD17B10 2094/4885

“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.