SCHEMBL4530657

SCHEMBL4530657

O=C(c1[nH]c2ccccc2c1CN1CCC(c2c(Cl)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR2B P41595 1/20 0.50
MAPK14 Q16539 1/20 0.50
HTR2A P28223 1/20 0.46
ATM Q13315 1/20 0.45
GAA P10253 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
Hydrochloric Acid SCHEMBL4525039 0.90 HTR2A (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4519633 0.90 MEN1 (0.62) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4513920 0.89 AKR1C3 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL4522613 0.87 HTR2A (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4515176 0.87 LMNA (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4529569 0.87 HTR2A (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL4513138 0.87 HTR2A (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4520883 0.85 HRH4 (0.49) ALDH1A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL4516276 0.85 MCL1 (0.49) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4528863 0.84 HTR2A (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 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 (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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 ALDH1A1 395/4885MEN1 2146/4885KMT2A 3625/4885

“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.