SCHEMBL5070767

SCHEMBL5070767

NC1CC2CCC1c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.48
KDM1B Q8NB78 2/20 0.48
MAOB P27338 9/20 0.45
MAOA P21397 7/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2B6 P20813 3/20 0.45
ADRA1A P35348 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2A6 P11509 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL5341308 0.83 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL7329321 0.83 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL7329314 0.83 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL14284253 0.83 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL5704636 0.83 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
Hydrochloric Acid SCHEMBL11695201 0.81 KDM1A (0.59) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL13815484 0.77 CHRNB4 (0.40) CYP2C19CYP3A4
SCHEMBL2546767 0.77 CHRNB4 (0.40) CYP2C19CYP3A4
SCHEMBL23797352 0.77 CHRNB4 (0.59) KDM1AKDM1BHTR2C
SCHEMBL221689 0.77 CHRNB4 (0.59) KDM1AKDM1BHTR2C

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
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 KDM1A 3707/4885KDM1B 3764/4885MAOB 665/4885

“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.