SCHEMBL3523161

SCHEMBL3523161

CN(C)c1ccc2c(c1)NCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL5871312 0.89 GFER (0.43) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL12061623 0.86 MAPT (0.67) KDM4EMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL12004260 0.84 MAPT (0.69) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL27418887 0.77 MAPT (0.43) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL30634161 0.76 MAPT (0.50) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL3111834 0.76 MAPT (0.50) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL12480160 0.74 KDM4E (0.47) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL12479882 0.74 KDM4E (0.47) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL8526314 0.74 DRD2 (0.53) KDM4EMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL5913481 0.73 PARP1 (0.46) KDM4EMAPTALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
CN-100404508-C Tetrahydroquinoline derivatives AKZO NOBEL NV (NL) 2008-07-23 CN disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 US disclosed
CN-1729175-A Tetrahydroquinoline derivatives AKZO NOBEL NV (NL) 2006-02-01 CN disclosed
EP-1578726-A2 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-09-28 EP disclosed
WO-2004056780-A2 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL N.V. (NL) 2004-07-08 WO 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 (1 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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 KDM4E 394/4885MAPT 4864/4885ALDH1A1 1133/4885

“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.