SCHEMBL3744116

SCHEMBL3744116

CC(CN)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
PNMT P11086 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A4 P31645 5/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 4/20 0.42
AHR P35869 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
PTGS1 P23219 1/20 0.40
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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 SCHEMBL3748058 0.98 TAAR1 (0.47) TAAR1PNMTALDH1A1LMNAHTT
SCHEMBL16770733 0.81 ALDH1A1 (0.48) PNMTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27363114 0.81 ALDH1A1 (0.48) PNMTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11455306 0.81 ALDH1A1 (0.50) PNMTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9963710 0.81 ALDH1A1 (0.48) PNMTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18848621 0.81 ALDH1A1 (0.48) PNMTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6841424 0.79 SLC6A4 (0.57) TAAR1SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL19493622 0.79 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL8988458 0.79 ALDH1A1 (0.45) PNMTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL19493632 0.79 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP 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
CN-101061116-A Sulfonamide compounds JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 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-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 80/4885PNMT 1220/4885ALDH1A1 1954/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 TAAR1 2804/4885PNMT 4499/4885ALDH1A1 2749/4885
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 TAAR1 123/4885PNMT 3149/4885ALDH1A1 1778/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 TAAR1 2804/4885PNMT 4499/4885ALDH1A1 2749/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 TAAR1 1183/4885PNMT 721/4885ALDH1A1 843/4885

“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.