SCHEMBL2994358

SCHEMBL2994358

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 2/20 0.42
PKM P14618 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HRH1 P35367 1/20 0.40
HHAT Q5VTY9 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ABL1 P00519 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 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
SCHEMBL2994354 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL2994360 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL1181974 0.87 NOS3 (0.43) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL1181699 0.87 NOS3 (0.43) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL1181973 0.87 NOS3 (0.43) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL3004324 0.86 NOS3 (0.42) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL3004323 0.86 NOS3 (0.42) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL3004325 0.86 NOS3 (0.42) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL2992673 0.85 BRD4 (0.43) SMN1; SMN2HSD17B10BRD4PKMNOS3
SCHEMBL2992674 0.85 BRD4 (0.43) SMN1; SMN2HSD17B10BRD4PKMNOS3

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 SMN1; SMN2 4252/4885HSD17B10 2187/4885BRD4 977/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C SMN1; SMN2 4290/4885HSD17B10 2094/4885BRD4 1006/4885

“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.