SCHEMBL3068667

SCHEMBL3068667

C[C](C)CN(C)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.60
HTR2A P28223 4/20 0.60
SIGMAR1 Q99720 2/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A9 P48067 7/20 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
SCHEMBL7272216 0.78 HRH1 (0.60) HRH1HTR2ASIGMAR1CHRM2SLC6A2
SCHEMBL7274896 0.77 HTR2A (0.55) HRH1HTR2ASIGMAR1MTNR1AMTNR1B
SCHEMBL7272899 0.76 HTR2A (0.58) HRH1HTR2ASIGMAR1CHRM2SLC6A2
SCHEMBL10409938 0.76 HTR2A (0.53) HRH1HTR2ASIGMAR1MTNR1AMTNR1B
SCHEMBL1802493 0.76 HRH1 (1.00) HRH1HTR2ASIGMAR1CHRM2SLC6A2
SCHEMBL3068671 0.76 HRH1 (0.62) HRH1HTR2ASIGMAR1CHRM2SLC6A2
SCHEMBL8297797 0.76 HTR2A (0.62) HRH1HTR2ASIGMAR1
SCHEMBL1149757 0.75 HRH1 (0.56) HRH1HTR2ASIGMAR1MTNR1AMTNR1B
SCHEMBL9053055 0.74 HTR2A (0.60) HRH1HTR2ASIGMAR1MTNR1AMTNR1B
SCHEMBL5154177 0.74 HRH1 (0.60) HRH1HTR2ASIGMAR1MTNR1AMTNR1B

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
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20100104649-A1 Lercanidipine Hydrochloride Polymorphs and an Improved Process for Preparation of 1,1,N-Trimethyl-N-(3,3-Diphenylpropyl)-2-Aminoethyl Acetoacetate ACTAVIS GROUP PTC EHF (IS) 2010-04-29 US disclosed
WO-2008107797-A3 LERCANIDIPINE HYDROCHLORIDE POLYMORPHS AND AN IMPROVED PROCESS FOR PREPARATION OF 1,1,N-TRIMETHYL-N-(3,3-DIPHENYLPROPYL)-2-AMINOETHYL ACETOACETATE ACTAVIS GROUP PTC EHF (IS) 2010-01-21 WO disclosed
EP-2121575-A2 LERCANIDIPINE HYDROCHLORIDE POLYMORPHS AND AN IMPROVED PROCESS FOR PREPARATION OF 1,1,N-TRIMETHYL-N-(3,3-DIPHENYLPROPYL)-2-AMINOETHYL ACETOACETATE Actavis Group PTC EHF (IS) 2009-11-25 EP disclosed
WO-2008107797-A2 LERCANIDIPINE HYDROCHLORIDE POLYMORPHS AND AN IMPROVED PROCESS FOR PREPARATION OF 1,1,N-TRIMETHYL-N-(3,3-DIPHENYLPROPYL)-2-AMINOETHYL ACETOACETATE ACTAVIS GROUP PTC EHF (IS) 2008-09-12 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-20100104649-A1 Lercanidipine Hydrochloride Polymorphs and an Improved Process for Preparation of 1,1,N-Trimethyl-N-(3,3-Diphenylpropyl)-2-Aminoethyl Acetoacetate ADRB3, ADRA2C, NAT1 HRH1 873/4885HTR2A 363/4885SIGMAR1 559/4885

“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.