SCHEMBL5016388

SCHEMBL5016388

O=C(O)C1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
TSHR P16473 1/20 0.67
KMT2A Q03164 1/20 0.67
LTA4H P09960 1/20 0.63
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
CYP2D6 P10635 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM3 P20309 1/20 0.58
S1PR5 Q9H228 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL1519223 0.94 MEN1 (0.69) MEN1TSHRKMT2ALTA4HABL1
Hydrochloric Acid SCHEMBL2551741 0.92 MEN1 (0.68) MEN1TSHRKMT2ALTA4HABL1
SCHEMBL5016390 0.89 MEN1 (0.65) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL18125935 0.88 ALDH1A1 (0.71) MEN1KMT2ALTA4HKDM4EALDH1A1
SCHEMBL3844177 0.88 ALDH1A1 (0.71) MEN1KMT2ALTA4HKDM4EALDH1A1
Formic Acid SCHEMBL28857498 0.88 MEN1 (0.62) MEN1TSHRKMT2ALTA4HABL1
SCHEMBL12205291 0.87 ALDH1A1 (0.60) MEN1KMT2ALTA4HKDM4EALDH1A1
SCHEMBL16291177 0.86 MEN1 (0.68) MEN1TSHRKMT2AABL1RIN1
SCHEMBL27405361 0.85 MEN1 (0.60) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL22483727 0.84 KCNH2 (0.59) MEN1TSHRKMT2ALTA4HS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed
EP-1250337-B1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-03 EP disclosed
US-7304052-B2 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUITCA N.V. (BE) 2007-12-04 US disclosed
US-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-24 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-20030139393-A1 Substituted homopiperidinyl benzimidazole analogues as fundic relaxants HRH2, CBR1, HTR1D MEN1 3118/4885TSHR 1503/4885KMT2A 1660/4885

“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.