SCHEMBL2840169

SCHEMBL2840169

CCNc1cccc2c1N(Cc1ccccc1)C(=O)C(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.47
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 5/20 0.41
ALDH1A1 P00352 2/20 0.39
CCKBR P32239 1/20 0.39
XIAP P98170 2/20 0.38
BRD4 O60885 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL2840906 0.88 XIAP (0.42) NPY1RALDH1A1XIAPHRH4
SCHEMBL2847250 0.85 NPY1R (0.49) NPY1RKMT2AL3MBTL1SCN9AALDH1A1
SCHEMBL7416762 0.82 NPY1R (0.59) NPY1RKMT2AL3MBTL1SCN9ACCKBR
SCHEMBL5132571 0.82 NPY1R (0.59) NPY1RKMT2AL3MBTL1SCN9ACCKBR
SCHEMBL2842671 0.82 NPY1R (0.44) NPY1RKMT2AL3MBTL1SCN9AALDH1A1
SCHEMBL2840179 0.80 NPY1R (0.50) NPY1RKMT2AL3MBTL1SCN9ACCKBR
SCHEMBL29048164 0.79 SMN1; SMN2 (0.57) NPY1RKMT2AL3MBTL1SCN9AALDH1A1
SCHEMBL7421160 0.75 SCN9A (0.48) NPY1RSCN9ACCKBR
SCHEMBL649566 0.75 NPY1R (0.52) NPY1RKMT2AL3MBTL1SCN9AALDH1A1
SCHEMBL5651533 0.75 NPY1R (0.52) NPY1RKMT2AL3MBTL1SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241564-B1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARM CO LTD (JP) 2014-04-30 EP disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN NPY1R 194/4885KMT2A 1613/4885L3MBTL1 897/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR NPY1R 31/4885KMT2A 1171/4885L3MBTL1 1644/4885

“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.