SCHEMBL19910587

SCHEMBL19910587

CC(C)CC(=O)N1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.63
GRM7 Q14831 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
GAA P10253 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL18823655 0.90 GRM7 (0.62) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19910611 0.89 GRM7 (0.60) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8654245 0.86 GRM7 (0.58) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3660180 0.83 NOTUM (0.69) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29520673 0.83 NOTUM (0.69) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12308329 0.83 NOTUM (0.69) NOTUMSMN1; SMN2ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL29520826 0.82 NOTUM (0.67) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29521106 0.82 NOTUM (0.67) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13884535 0.82 GRM7 (0.66) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1545217 0.81 SMN1; SMN2 (0.70) NOTUMGRM7SMN1; SMN2ALDH1A1KDM4E

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 8 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
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 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 (4 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 NOTUM 2217/4885GRM7 1942/4885SMN1; SMN2 1971/4885
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT NOTUM 1623/4885GRM7 2132/4885SMN1; SMN2 2123/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX NOTUM 590/4885GRM7 4369/4885SMN1; SMN2 1966/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX NOTUM 590/4885GRM7 4369/4885SMN1; SMN2 1966/4885

“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.