SCHEMBL1982803

SCHEMBL1982803

CC(=O)N1CCC[C@@H]2CNC[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRM2 P08172 6/20 0.36
CHRM4 P08173 6/20 0.36
CHRM5 P08912 6/20 0.36
CHRM1 P11229 6/20 0.36
CHRM3 P20309 6/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 2/20 0.34
OPRL1 P41146 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1982800 1.00 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL1982802 1.00 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL14196282 0.89 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL30418778 0.89 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL4729568 0.89 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL652903 0.84 NPC1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL652905 0.84 NPC1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL652904 0.84 NPC1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL29264141 0.84 NPC1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL14222790 0.81 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4POLB

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-1767536-B1 QUINOLONECARBOXYLIC ACID COMPOUNDS, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST MED BIOTECHNOLOGY CAMS (CN) 2011-06-29 EP disclosed
US-7759362-B2 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof INSTITUT OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-07-20 US disclosed
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof XINCHANG PHARMACEUTICAL FACTORY, ZHEJIANG MEDICINE CO. LTD. (CN) 2007-09-20 US disclosed
WO-2007070613-A2 RIFAMYCIN ANALOGS AND USES THEREOF ACTIVBIOTICS, INCORPORATED (US) 2007-06-21 WO disclosed
EP-1767536-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEREOF PREPARATION AND USAGE Institute of Medicinal Biotechnology, Chinese Acadamy of Medical Sciences (CN) 2007-03-28 EP 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-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof NQO2, ABCG2, DHX15 CHRNB2 4811/4885CHRNB4 4734/4885CHRNA3 4496/4885

“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.