SCHEMBL14125429

SCHEMBL14125429

CCN1CC[C@H](C(C(=O)O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ KCNE1 P15382 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL2619541 1.00 KCNH2 (0.45) KCNH2HTR2AHTR2BOPRM1ADRB2
Bromide SCHEMBL14892044 0.99 KCNH2 (0.44) KCNH2HTR2AHTR2BOPRM1ADRB2
Hydrochloric Acid SCHEMBL14890691 0.99 KCNH2 (0.44) KCNH2HTR2AHTR2BOPRM1ADRB2
Hydrochloric Acid SCHEMBL14890692 0.99 KCNH2 (0.44) KCNH2HTR2AHTR2BOPRM1ADRB2
Bromide SCHEMBL14892271 0.99 KCNH2 (0.44) KCNH2HTR2AHTR2BOPRM1ADRB2
SCHEMBL28302568 0.92 CYP3A4 (0.48) KCNH2CHRM2CHRM1CHRM3HRH1
SCHEMBL13601296 0.90 OPRM1 (0.44) KCNH2HTR2AHTR2BOPRM1ADRB2
SCHEMBL14128532 0.89 CHRM3 (0.56) KCNH2HTR2AHTR2BOPRM1ADRB2
SCHEMBL11478311 0.89 CHRM3 (0.56) KCNH2HTR2AHTR2BOPRM1ADRB2
SCHEMBL11479218 0.81 CHRM2 (0.49) KCNH2HTR2AHTR2BOPRM1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109854-A1 Novel Methods for Preparation of (+)-1-ethyl-4-[2-(4-morpholinyl)ethyl)-3,3-diphenyl-2-pyrrolidinone and Salts Thereof GALLEON PHARMACEUTICALS, INC. 2013-05-02 — — US claimed
US-20130109854-A1 Novel Methods for Preparation of (+)-1-ethyl-4-[2-(4-morpholinyl)ethyl)-3,3-diphenyl-2-pyrrolidinone and Salts Thereof GALLEON PHARMACEUTICALS, INC. 2013-05-02 — — US disclosed
US-20130109854-A1 Novel Methods for Preparation of (+)-1-ethyl-4-[2-(4-morpholinyl)ethyl)-3,3-diphenyl-2-pyrrolidinone and Salts Thereof GALLEON PHARMACEUTICALS, INC. 2013-05-02 — — US disclosed
US-20130109854-A1 Novel Methods for Preparation of (+)-1-ethyl-4-[2-(4-morpholinyl)ethyl)-3,3-diphenyl-2-pyrrolidinone and Salts Thereof GALLEON PHARMACEUTICALS, INC. 2013-05-02 — — US disclosed
WO-2012166909-A1 COMPOSITIONS AND METHODS FOR TREATING BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-12-06 — — WO disclosed
WO-2012166909-A1 COMPOSITIONS AND METHODS FOR TREATING BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-12-06 — — 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 (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-20130109854-A1 Novel Methods for Preparation of (+)-1-ethyl-4-[2-(4-morpholinyl)ethyl)-3,3-diphenyl-2-pyrrolidinone and Salts Thereof TNNC1, DNPEP, TNNT2 KCNH2 2946/4885HTR2A 2161/4885HTR2B 2676/4885

“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.

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