SCHEMBL3817178

SCHEMBL3817178

COC(=O)CC1CC2CCC(C1)N2C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NR1H2 P55055 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 4/20 0.41
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3817176 1.00 BRD4 (0.47) BRD4ALDH1A1TSHRNR1H2LMNA
SCHEMBL3824574 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNACYP2C9CHRM3
SCHEMBL3818592 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNACYP2C9CHRM3
SCHEMBL22032253 0.82 NR1H2 (0.43) BRD4NR1H2CHRM3CHRM2CHRM1
SCHEMBL18686611 0.79 CHRM3 (0.47) LMNACYP2C9CHRM3CHRM2CHRM1
SCHEMBL7329746 0.79 CHRM3 (0.47) LMNACYP2C9CHRM3CHRM2CHRM1
SCHEMBL6223543 0.79 CHRM3 (0.47) LMNACYP2C9CHRM3CHRM2CHRM1
SCHEMBL22519405 0.79 LMNA (0.46) ALDH1A1TSHRLMNACYP2C9CHRM3
SCHEMBL11204278 0.79 LMNA (0.46) ALDH1A1TSHRLMNACYP2C9CHRM3
Hydrochloric Acid SCHEMBL3744342 0.77 CHRM3 (0.46) LMNACYP2C9CHRM3CHRM2CHRM1

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
EP-1937230-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
EP-1937267-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
US-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis GLAXO GROUP LIMITED 2008-11-06 US disclosed
US-20080234315-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
EP-1937267-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
EP-1937230-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007016650-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007016639-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 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 (2 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-20080234315-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM1 BRD4 1268/4885ALDH1A1 1053/4885TSHR 30/4885
US-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis CHRM3, EDNRB, BDKRB2 BRD4 174/4885ALDH1A1 3569/4885TSHR 814/4885

“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.