SCHEMBL10414971

SCHEMBL10414971

CCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.80
SIGMAR1 Q99720 2/20 0.68
DRD2 P14416 4/20 0.64
DRD3 P35462 1/20 0.64
DRD4 P21917 1/20 0.62
HTR1A P08908 2/20 0.61
HTR2A P28223 2/20 0.61
HTR7 P34969 2/20 0.61
HTR6 P50406 2/20 0.61

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
SCHEMBL13875118 0.95 KCNH2 (0.83) KCNH2SIGMAR1DRD2DRD4HTR1A
SCHEMBL2214111 0.94 KCNH2 (0.86) KCNH2SIGMAR1DRD2DRD4HTR1A
SCHEMBL8467046 0.91 KCNH2 (0.74) KCNH2SIGMAR1DRD2HTR1AHTR7
SCHEMBL30764776 0.91 KCNH2 (0.74) KCNH2SIGMAR1DRD2HTR1AHTR7
SCHEMBL30767216 0.91 KCNH2 (0.90) KCNH2SIGMAR1DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7658247 0.89 KCNH2 (0.88) KCNH2SIGMAR1DRD2HTR1AHTR2A
SCHEMBL4525555 0.89 KCNH2 (1.00) KCNH2SIGMAR1DRD2HTR1AHTR2A
SCHEMBL29739753 0.86 KCNH2 (0.82) KCNH2SIGMAR1DRD2HTR1AHTR2A
SCHEMBL267526 0.86 KCNH2 (0.82) KCNH2SIGMAR1DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL1254640 0.85 KCNH2 (0.80) KCNH2SIGMAR1DRD2HTR1AHTR2A

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
US-9994515-B2 Aryl naphthyl methanone oxime(s) and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-06-12 US disclosed
US-20160304442-A1 ARYL NAPHTHYL METHANONE OXIME(S) AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-10-20 US disclosed
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 US disclosed
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-4895846-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS COMPANY (US) 1990-01-23 US disclosed
US-4755512-A Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities BRISTOL-MYERS COMPANY (US) 1988-07-05 US 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 (3 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-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 KCNH2 4405/4885SIGMAR1 3795/4885DRD2 1343/4885
US-20160304442-A1 ARYL NAPHTHYL METHANONE OXIME(S) AND PROCESS FOR PREPARATION THEREOF MCL1, CYP11B1, CYP21A2 KCNH2 1675/4885SIGMAR1 2649/4885DRD2 3016/4885
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS ABCB1, ABCC1, ABCC2 KCNH2 1932/4885SIGMAR1 728/4885DRD2 1431/4885

“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.