SCHEMBL4377946

SCHEMBL4377946

NCCC(Cl)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.62
HTR2A P28223 3/20 0.52
TAAR1 Q96RJ0 4/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DPP4 P27487 2/20 0.40
F2 P00734 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
Hydrochloric Acid SCHEMBL4374017 0.98 HRH1 (0.60) HRH1HTR2ATAAR1TSHRCYP1A2
SCHEMBL9198696 0.86 HRH1 (0.65) HRH1HTR2ATAAR1TSHRCYP1A2
SCHEMBL22042229 0.85 TSHR (0.55) HRH1HTR2ATAAR1TSHRDPP4
SCHEMBL28527237 0.80 TAAR1 (0.59) HRH1HTR2ATAAR1TSHRCYP1A2
SCHEMBL22042223 0.80 TSHR (0.50) HRH1HTR2ATAAR1TSHRDPP4
SCHEMBL3406287 0.80 TAAR1 (0.59) HRH1HTR2ATAAR1TSHRCYP1A2
Hydrochloric Acid SCHEMBL8120982 0.78 TAAR1 (0.56) HRH1HTR2ATAAR1TSHRSLC6A4
SCHEMBL3218900 0.78 TSHR (0.48) HRH1HTR2ATAAR1TSHRDPP4
SCHEMBL13639028 0.77 HTR2A (0.43) HRH1HTR2ATAAR1TSHRCYP1A2
SCHEMBL158098 0.77 HRH1 (1.00) HRH1HTR2ATAAR1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153948-A By using acid clean, disinfection and the bactericidal composition of the reduction atomization of high molecular weight water-in-oil emulsion polymer 埃科莱布美国股份有限公司 2019-01-04 CN claimed
CN-110392528-A The dangerous disinfectant and fungicide of sucking is reduced by heavy polymer 埃科莱布美国股份有限公司 2019-10-29 CN disclosed
CN-110172861-A A kind of no chlorine wet strength agent and preparation method thereof 浙江恒达新材料股份有限公司 2019-08-27 CN disclosed
CN-109153947-A By using the alkalinity and neutral cleaning, disinfection and bactericidal composition of the reduction atomization of high molecular weight water-in-oil emulsion polymer 埃科莱布美国股份有限公司 2019-01-04 CN disclosed
CN-109153948-A By using acid clean, disinfection and the bactericidal composition of the reduction atomization of high molecular weight water-in-oil emulsion polymer 埃科莱布美国股份有限公司 2019-01-04 CN disclosed
US-9604906-B2 Process for the preparation of 3-aryloxy-3-phenylpropylamine and salt thereof ZCL CHEMICALS LIMITED (IN) 2017-03-28 US disclosed
CN-106320075-A Internal sizing agent emulsion and preparation method and application of same 上海东升新材料有限公司 2017-01-11 CN disclosed
CN-106256955-A A kind of plasm-glue-blending agent emulsion and its preparation method and application 上海东升新材料有限公司 2016-12-28 CN disclosed
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF COHANCE LIFESCIENCES LIMITED (IN) 2016-04-21 US disclosed
WO-2015001565-A2 \"AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3- PHENYLPROPYLAMINE AND SALT THEREOF\ ZCL CHEMICALS LIMITED (IN) 2015-01-08 WO disclosed
WO-2009141833-A2 AN IMPROVED PROCESS FOR SYNTHESIZING HIGHLY PURE ATOMOXETINE IND-SWIFT LABORATORIES LIMITED (IN) 2009-11-26 WO disclosed
WO-2008062473-A1 PROCESS FOR PREPARING ATOMOXETINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
WO-2008026227-A2 A PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE MATRIX LABORATORIES LTD (IN) 2008-03-06 WO disclosed
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
EP-1794112-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006037055-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-06 WO disclosed
WO-2006009884-A1 3-ARYLOXY-3-ARYLPROPYLAMINE SYNTHESIS DR. REDDY'S LABORATORIES LTD. (IN) 2006-01-26 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 (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-20080004470-A1 Synthesis of Atomoxetine Hydrochloride SLC6A2, SLC6A4, SLC6A3 HRH1 3664/4885HTR2A 11/4885TAAR1 121/4885
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF PAH, TYR, NAT1 HRH1 630/4885HTR2A 442/4885TAAR1 73/4885

“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.