SCHEMBL2992630

SCHEMBL2992630

C=C1CN(C(=O)OCC)CCc2ccsc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3003136 0.85 NOS3 (0.46) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL1425227 0.82 NOS3 (0.46) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL1182615 0.82 SMN1; SMN2 (0.42) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL982355 0.79 SMN1; SMN2 (0.50) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL1425282 0.76 PRMT5 (0.47) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL1425321 0.76 PRMT5 (0.49) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL16268868 0.73 ALDH1A1 (0.64) PRMT5WDR77SMN1; SMN2ALDH1A1NPC1
SCHEMBL2995712 0.73 GRM5 (0.43) PRMT5WDR77NOS3NOS1NOS2
SCHEMBL2999822 0.73 SMN1; SMN2 (0.41) PRMT5WDR77SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4751951 0.73 HSD17B10 (0.41) PRMT5WDR77SMN1; SMN2HSD17B10ALDH1A1

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 8 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
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-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-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 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 PRMT5 1398/4885WDR77 3086/4885NOS3 1620/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C PRMT5 1395/4885WDR77 3213/4885NOS3 1546/4885

“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.