SCHEMBL3749082

SCHEMBL3749082

CC(C)(CN)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.60
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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 SCHEMBL3750475 0.98 TAAR1 (0.58) TAAR1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL6562809 0.87 TAAR1 (0.75) TAAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6563360 0.85 TAAR1 (0.71) TAAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29570669 0.82 KIF11 (0.47) TAAR1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL5877849 0.80 TAAR1 (0.65) TAAR1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL10961852 0.80 TAAR1 (0.65) TAAR1CYP3A4MAPTKIF11
SCHEMBL10574062 0.78 TAAR1 (0.62) TAAR1MEN1KMT2ATSHRCYP1A2
SCHEMBL10837089 0.78 MEN1 (0.52) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8350486 0.78 TAAR1 (0.62) TAAR1HTR2AHTR2BTSHRCYP1A2
SCHEMBL12171 0.78 TAAR1 (0.62) TAAR1CYP3A4MAPTKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-07 US disclosed
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-01-21 US disclosed
EP-2782565-B1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER IP GMBH (DE) 2019-11-06 EP disclosed
EP-2782565-B1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER IP GMBH (DE) 2019-11-06 EP disclosed
US-9422276-B2 Use of aryl and hetaryl carboxamides as endoparasiticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-23 US disclosed
US-9422276-B2 Use of aryl and hetaryl carboxamides as endoparasiticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-23 US disclosed
US-9422276-B2 Use of aryl and hetaryl carboxamides as endoparasiticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-23 US disclosed
CN-104203223-A Use of aryl and hetaryl carboxamides as endoparasiticides BAYER IP GMBH 2014-12-10 CN disclosed
US-20140323736-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-30 US disclosed
US-20140323736-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-30 US disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed
US-4600705-A Gonadoliberin derivatives containing a β-aspartyl group, a process for the preparation thereof and pharmaceutical preparations containing them Richter Gedeon Veyteszeti Gyar R.T. (HU) 1986-07-15 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 (6 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR TAAR1 80/4885MEN1 685/4885KMT2A 2666/4885
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RNGTT, FBL, POLR1C TAAR1 4283/4885MEN1 4099/4885KMT2A 1741/4885
US-20140323736-A1 USE OF ARYL AND HETARYL CARBOXAMIDES AS ENDOPARASITICIDES AADAC, ENPP2, EPX TAAR1 1744/4885MEN1 3156/4885KMT2A 2138/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 TAAR1 2804/4885MEN1 1931/4885KMT2A 1276/4885
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RNGTT, FBL, POLR1C TAAR1 4283/4885MEN1 4099/4885KMT2A 1741/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 TAAR1 2804/4885MEN1 1931/4885KMT2A 1276/4885

“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.