SCHEMBL2330982

SCHEMBL2330982

Cc1cccc(C)c1C(C(N)=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.44
OPRD1 P41143 6/20 0.43
HRH4 Q9H3N8 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HTR1A P08908 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HTR3A P46098 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL11839058 1.00 ADRB1 (0.44) ADRB1OPRD1HRH4SLC6A4SLC6A2
SCHEMBL31429820 0.86 ATM (0.48) SLC6A4SLC6A2CYP3A4CYP2D6CYP2C9
SCHEMBL7288770 0.85 MEN1 (0.37) ADRB1OPRD1HRH4SLC6A4MEN1
SCHEMBL7432917 0.84 ATM (0.47) SLC6A4SLC6A2CYP3A4CYP2D6CYP2C9
SCHEMBL1080006 0.84 ADRB1 (0.48) ADRB1OPRD1HRH4SLC6A4SLC6A2
SCHEMBL7435488 0.82 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CHRM2CHRM1
SCHEMBL7289698 0.82 RXFP1 (0.44) ADRB1OPRD1SLC6A4SLC6A2CYP1A2
SCHEMBL11847697 0.81 HTR3E (0.43) ADRB1OPRD1SLC6A4SLC6A2HTR1A
SCHEMBL7289950 0.78 SLC6A2 (0.47) OPRD1SLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL7291885 0.77 HTR2C (0.38) ADRB1OPRD1HRH4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103570645-A Method for preparing N-(2,6-dimethyl phenyl)-2-(1-piperazine)acetamide SHANGHAI DESANO CHEMICAL PHARM 2014-02-12 CN claimed
US-20110223213-A1 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-09-15 US claimed
EP-2356097-A2 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Actavis Group PTC ehf. (IS) 2011-08-17 EP claimed
WO-2010043976-A2 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-04-22 WO claimed
US-3959281-A CORONARY DILATORS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-25 US claimed
CN-103570645-A Method for preparing N-(2,6-dimethyl phenyl)-2-(1-piperazine)acetamide SHANGHAI DESANO CHEMICAL PHARM 2014-02-12 CN disclosed
EP-2586774-A1 METHOD FOR PREPARATION OF RANOLAZINE Shanghai Kuoikee Laboratories Co., Ltd (CN) 2013-05-01 EP disclosed
US-20130090475-A1 Process for the Preparation of Ranolazine ZHEJIANG JIANFENG HAIZHOU PHARMACEUTICAL CO., LTD. (CN) 2013-04-11 US disclosed
US-20110223213-A1 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-09-15 US disclosed
EP-2356097-A2 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Actavis Group PTC ehf. (IS) 2011-08-17 EP disclosed
WO-2010043976-A2 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-04-22 WO disclosed
WO-2010029436-A2 NOVEL SOLID STATE FORMS OF RANOLAZINE SALTS ACTAVIS GROUP PTC EHF (IS) 2010-03-18 WO disclosed
EP-0862566-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-09 EP disclosed
WO-1997016440-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed
US-3959281-A CORONARY DILATORS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-25 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 (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-20110223213-A1 HIGHLY PURE RANOLAZINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF REN, ADRB3, RAN ADRB1 8/4885OPRD1 83/4885HRH4 211/4885
US-20130090475-A1 Process for the Preparation of Ranolazine RANBP1, RANBP2, RAN ADRB1 492/4885OPRD1 300/4885HRH4 51/4885

“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.