SCHEMBL2580458

SCHEMBL2580458

OC[C](CC1CCNCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
KDM1A O60341 7/20 0.42
MAOB P27338 5/20 0.42
MAOA P21397 3/20 0.42
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL818433 0.77 GBA1 (0.50) GBA1KDM1AMAOBMAOASLC18A3
SCHEMBL3309515 0.77 MAOB (0.56) GBA1MAOBMAOAKMT2AMEN1
Hydrochloric Acid SCHEMBL28328120 0.76 MAOB (0.55) GBA1MAOBMAOAKMT2AITGB3
SCHEMBL6222982 0.72 EPHX2 (0.43) KMT2ALMNA
Biphenyl SCHEMBL28748571 0.72 GBA1 (0.57) GBA1KDM1AMAOBMAOASLC18A3
SCHEMBL8673222 0.70 CES1 (0.43) KMT2AMEN1
SCHEMBL23668445 0.68 KMT2A (0.60) GBA1MAOBMAOAKMT2ACHRM3
SCHEMBL817621 0.68 SLC6A1 (0.49) GBA1KDM1AMAOBMAOAKMT2A
SCHEMBL11251566 0.68 KMT2A (0.68) GBA1KMT2AMEN1LMNACYP2D6
SCHEMBL818715 0.68 GBA1 (0.47) GBA1KDM1AMAOBMAOASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110268699-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES BIOVISTA, INC. (US) 2011-11-03 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 (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-20110268699-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES PMP22, AQP4, PLP2 GBA1 73/4885KDM1A 4226/4885MAOB 2150/4885

“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.