SCHEMBL2218013

SCHEMBL2218013

NC(=O)c1ccccc1C1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.50
CHRM2 P08172 5/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 5/20 0.42
ADRA1A P35348 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42

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
SCHEMBL4971345 0.86 CHRNA7 (0.56) CHRNA7CHRM2CHRM1CHRM3KDM4E
SCHEMBL18204352 0.84 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM3KDM4E
SCHEMBL18440369 0.80 NPC1 (0.43) CHRNA7ALDH1A1
SCHEMBL5968489 0.78 CHRNA7 (0.43) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5968583 0.77 CHRNA7 (0.43) CHRNA7
SCHEMBL5968444 0.77 CHRNA7 (0.43) CHRNA7
SCHEMBL30646221 0.77 KDM4E (0.47) ADRA1AKDM4EALDH1A1
SCHEMBL27354007 0.76 CHRNA7 (0.39) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL5968380 0.75 CHRNA7 (0.41) CHRNA7CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4795807 0.75 ADRA1A (0.47) CHRNA7ADRA1AKDM4EALDH1A1POLB

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850120-A Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound 浙江工业大学 2023-03-28 CN claimed
US-5236931-A Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility A. H. ROBINS COMPANY, INCORPORATED (US) 1993-08-17 US claimed
CN-115850120-A Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound 浙江工业大学 2023-03-28 CN disclosed
US-20110178118-A1 PALONOSETRON FOR THE TREATMENT OF CHEMOTHERAPY INDUCED EMESES HELSINN HEALTHCARE SA (CH) 2011-07-21 US disclosed
EP-1596862-B1 USE OF PALONOSETRON FOR TREATING POST-OPERATIVE NAUSEA AND VOMITING HELSINN HEALTHCARE SA (CH) 2010-12-08 EP disclosed
EP-2258367-A2 Use of palonosetron for treating post-operative nausea and vomiting Helsinn Healthcare S.A. (CH) 2010-12-08 EP disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
EP-2205603-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2010-07-14 EP disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 WO disclosed
US-20060079545-A1 Palonosetron for the treatment of chemotherapy induced emeses HELSINN HEALTHCARE SA (CH) 2006-04-13 US disclosed
US-5723103-A ALTERED 5-HT-3 OR NEUROTRANSMITTER RECEPTOR FUNCTION VANDERBILT UNIVERSITY (US) 1998-03-03 US disclosed
WO-1996017630-A9 SUBSTITUTED BENZAMIDES AND RADIOLIGAND ANALOGS AND METHODS OF USE 1996-08-08 WO disclosed
WO-1996017630-A1 SUBSTITUTED BENZAMIDES AND RADIOLIGAND ANALOGS AND METHODS OF USE VANDERBILT UNIVERSITY (US) 1996-06-13 WO disclosed
US-5273972-A [(2-diakylaminomethyl)-3-quinuclidinyl]-benzamides and benzoates A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5236931-A Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility A. H. ROBINS COMPANY, INCORPORATED (US) 1993-08-17 US disclosed
US-5236931-A Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility A. H. ROBINS COMPANY, INCORPORATED (US) 1993-08-17 US disclosed
US-5084460-A Psychological disorders, anxiolytic agents and cognition activators A. H. ROBINS COMPANY, INCORPORATED (US) 1992-01-28 US disclosed
US-5084460-A Psychological disorders, anxiolytic agents and cognition activators A. H. ROBINS COMPANY, INCORPORATED (US) 1992-01-28 US disclosed
EP-0272052-A1 Anxiolytic-N-(1-Azabicyclo[2.2.2]Oct-3-yl) Benzamides and Thobenzamides A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-06-22 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 (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-20060079545-A1 Palonosetron for the treatment of chemotherapy induced emeses HTR3A, HTR3C, HTR3B CHRNA7 409/4885CHRM2 502/4885CHRM1 795/4885
US-20110178118-A1 PALONOSETRON FOR THE TREATMENT OF CHEMOTHERAPY INDUCED EMESES HTR3A, HTR3C, HTR3B CHRNA7 409/4885CHRM2 502/4885CHRM1 795/4885

“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.