SCHEMBL5163430

SCHEMBL5163430

O=C(OC1CCNCC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.65
CHRM2 P08172 7/20 0.57
KCNH2 Q12809 2/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC22A1 O15245 1/20 0.56
CHRM1 P11229 1/20 0.56
HRH1 P35367 1/20 0.56

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 SCHEMBL16274988 0.98 CHRM3 (0.63) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL11484706 0.91 CHRM3 (0.58) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL27681368 0.89 CHRM3 (0.74) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL14547351 0.86 CHRM3 (0.67) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL17294651 0.84 CHRM3 (0.60) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL16303704 0.83 CHRM3 (0.46) CHRM3LMNACYP2D6HRH1
SCHEMBL5161390 0.82 CHRM2 (0.59) CHRM3CHRM2KCNH2LMNACYP2D6
Hydrochloric Acid SCHEMBL16274819 0.82 CHRM3 (0.45) CHRM3LMNACYP2D6HRH1
SCHEMBL20476344 0.81 CHRM3 (0.64) CHRM3CHRM2KCNH2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL6588205 0.80 CHRM3 (0.59) CHRM3CHRM2KCNH2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018150347-A1 COMPOUNDS WITH BETA-ADRENERGIC AGONIST AND ANTIMUSCARINIC ACTIVITY TORRENT PHARMACEUTICALS LIMITED (IN) 2018-08-23 WO claimed
JP-62039567-A None JP disclosed
WO-2018150347-A1 COMPOUNDS WITH BETA-ADRENERGIC AGONIST AND ANTIMUSCARINIC ACTIVITY TORRENT PHARMACEUTICALS LIMITED (IN) 2018-08-23 WO disclosed
EP-1275645-B1 LABELED COMPOUNDS FOR MEASURING THE FUNCTION OF THE MUSCARINIC ACETYLCHOLINE NERVOUS SYSTEM HAMAMATSU PHOTONICS KK (JP) 2007-02-28 EP disclosed
US-6649142-B2 Labeled compounds for measuring the function of the muscarinic acetylcholine nervous system HAMAMATSU PHOTONICS K.K. (JP) 2003-11-18 US disclosed
US-20030113261-A1 Labeled compounds for measuring the function of the muscarinic acetylcholine nervous system HAMAMATSU PHOTONICS K.K. (JP) 2003-06-19 US disclosed
EP-1275645-A1 LABELED COMPOUNDS FOR MEASURING THE FUNCTION OF THE MUSCARINIC ACETYLCHOLINE NERVOUS SYSTEM HAMAMATSU PHOTONICS K. K. (JP) 2003-01-15 EP disclosed
JP-S6239567-A 4-PIPERIDYL BENZILATE TAIHO YAKUHIN KOGYO KK 1987-02-20 JP 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-20030113261-A1 Labeled compounds for measuring the function of the muscarinic acetylcholine nervous system CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885KCNH2 256/4885

“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.