SCHEMBL5023610

SCHEMBL5023610

COc1ccc(CCN2CCCC(=O)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.72
SIGMAR1 Q99720 3/20 0.67
KCNJ1 P48048 1/20 0.56
KCNH2 Q12809 1/20 0.56
ABCB1 P08183 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
SMPD1 P17405 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL3714297 0.94 SIGMAR1 (0.75) HRH3SIGMAR1KCNJ1KCNH2ABCB1
SCHEMBL3979749 0.85 PTGIR (0.60) HRH3SIGMAR1ABCB1
SCHEMBL29356024 0.85 HRH3 (1.00) HRH3SIGMAR1KCNJ1KCNH2MAOA
SCHEMBL11156977 0.83 HRH3 (0.96) HRH3SIGMAR1KCNJ1KCNH2MAOA
SCHEMBL19513759 0.81 CYP4F2 (0.49) HRH3SIGMAR1ABCB1
Hydrochloric Acid SCHEMBL7810971 0.79 SLC6A3 (0.66) HRH3SIGMAR1KCNH2SLC6A3
SCHEMBL8107629 0.79 SIGMAR1 (0.65) HRH3SIGMAR1GSK3AGSK3B
SCHEMBL1586605 0.79 SIGMAR1 (0.65) HRH3SIGMAR1GSK3AGSK3B
SCHEMBL9028169 0.78 SIGMAR1 (0.61) SIGMAR1
SCHEMBL16429902 0.77 KMT2A (0.64) HRH3SIGMAR1GSK3AGSK3BMEN1

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
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
EP-1250337-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS Janssen Pharmaceutica N.V. (BE) 2002-10-23 EP disclosed
WO-2001046189-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-06-28 WO 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 HRH3 34/4885SIGMAR1 228/4885KCNJ1 197/4885

“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.