SCHEMBL22397485

SCHEMBL22397485

CC1CCc2nc(Cl)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CDK1 P06493 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL14502261 0.82 PIM1 (0.39) ALOX5CHRNB2CHRNA4CDK1MAPKAPK2
SCHEMBL19475740 0.76 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL31072001 0.72 PDE10A (0.42) ALOX5CHRNB2CHRNA4HTR2AHTR2C
SCHEMBL21767378 0.72 PDE10A (0.42) ALOX5CHRNB2CHRNA4HTR2AHTR2C
SCHEMBL21767380 0.72 PDE10A (0.42) ALOX5CHRNB2CHRNA4HTR2AHTR2C
SCHEMBL21767388 0.72 PDE10A (0.42) ALOX5CHRNB2CHRNA4HTR2AHTR2C
SCHEMBL14826475 0.69 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL1066754 0.68 NOTUM (0.42) CHRNB2CHRNA4ALDH1A1HPGDHSD17B10
SCHEMBL13659625 0.68 CHRNB2 (0.35) CHRNB2CHRNA4HTR2AHTR2CHTR2B
SCHEMBL12891921 0.67 DRD2 (0.39) CHRNB2CHRNA4KDM4EALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP disclosed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 US disclosed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US disclosed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US disclosed
EP-3703692-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-09 EP 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-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU ALOX5 588/4885CHRNB2 1964/4885CHRNA4 2914/4885
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT ALOX5 484/4885CHRNB2 2380/4885CHRNA4 3208/4885

“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.