SCHEMBL1416655

SCHEMBL1416655

CCC[CH]NC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
NAAA Q02083 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 1/20 0.45
CA9 Q16790 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
SCHEMBL1556345 0.89 NAAA (0.54) RAB9ANPC1NAAAALDH1A1CYP1A2
SCHEMBL1416822 0.88 NAAA (0.57) RAB9ANPC1NAAAALDH1A1CYP1A2
SCHEMBL727648 0.86 RAB9A (0.53) RAB9ANPC1NAAAALDH1A1CYP3A4
SCHEMBL18151630 0.80 HDAC3 (0.58) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL11212751 0.79 HDAC3 (0.49) RAB9ANPC1GAAHDAC1HDAC6
SCHEMBL4741279 0.76 ASF1A (0.51) RAB9ANPC1ALDH1A1GAAHDAC1
SCHEMBL5604600 0.76 CYP1A2 (0.58) RAB9ANPC1NAAAALDH1A1CYP1A2
SCHEMBL6075048 0.76 CYP1A2 (0.58) RAB9ANPC1NAAAALDH1A1CYP1A2
SCHEMBL8457012 0.76 NPC1 (0.51) RAB9ANPC1ALDH1A1GAAHDAC1
SCHEMBL9430957 0.75 HDAC1 (0.47) RAB9ANPC1ALDH1A1GAAHDAC1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
EP-2308828-A2 CaSR antagonist Japan Tobacco Inc. (JP) 2011-04-13 EP disclosed
EP-2165830-B1 Lithographic printing plate precursor and printing method using the same FUJIFILM CORP (JP) 2011-03-16 EP disclosed
EP-2189439-A2 CaSR antagonist Japan Tobacco, Inc. (JP) 2010-05-26 EP disclosed
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
EP-2165830-A1 Lithographic printing plate precursor and printing method using the same Fujifilm Corporation (JP) 2010-03-24 EP disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
EP-1619180-B1 CaSR ANTAGONIST JAPAN TOBACCO INC (JP) 2009-12-16 EP disclosed
US-20080255042-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2008-10-16 US disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
US-20060135572-A1 CaSR antagonist JAPAN TOBACCO INC. (JP) 2006-06-22 US disclosed
EP-1630157-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-03-01 EP disclosed
EP-1619180-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-01-25 EP disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis JAPAN TOBACCO INC. 2005-02-10 US disclosed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-3997541-A Lactones of the benzazaxanthene series and dye-forming components for duplication processes BASF AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed
US-3946017-A PRESSURE SENSITIVE MATERIALS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-03-23 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 (5 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-20090326058-A1 CaSR Antagonist CASR, CALCR, CALCRL RAB9A 611/4885NPC1 1388/4885NAAA 2807/4885
US-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL RAB9A 604/4885NPC1 1424/4885NAAA 2558/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL RAB9A 611/4885NPC1 1388/4885NAAA 2807/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL RAB9A 611/4885NPC1 1388/4885NAAA 2807/4885
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis CASR, CALCR, GRK2 RAB9A 907/4885NPC1 2704/4885NAAA 3922/4885

“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.