SCHEMBL7869563

SCHEMBL7869563

CCOc1cc(Cl)ncc1C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CYP3A4 P08684 1/20 0.59
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RORC P51449 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 2/20 0.40
POLQ O75417 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
THRB P10828 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
SCHEMBL7866700 0.88 TSHR (0.51) TSHRCYP3A4KDM4EKCNQ3KCNQ2
SCHEMBL20489593 0.84 DPP4 (0.48) TSHRCYP3A4KDM4EMAPTALDH1A1
SCHEMBL16368532 0.83 HTT (0.46) CYP3A4CA9KDM4EKCNQ3KCNQ2
SCHEMBL31248788 0.83 HTT (0.46) CYP3A4CA9KDM4EKCNQ3KCNQ2
SCHEMBL7866445 0.79 TSHR (0.40) TSHRCYP3A4KDM4EKCNQ3KCNQ2
SCHEMBL24942415 0.78 TSHR (0.41) TSHRCYP3A4KCNQ3KCNQ2RORC
SCHEMBL30194692 0.78 TSHR (0.41) TSHRCYP3A4KCNQ3KCNQ2RORC
SCHEMBL24100558 0.77 GABRP (0.46) TSHRCYP3A4KDM4ELMNAMAPT
SCHEMBL2220208 0.75 KDM4E (0.44) KDM4EHSD17B10LMNAMAPK1ALDH1A1
SCHEMBL13990852 0.75 KCNQ3 (0.38) TSHRCYP3A4KDM4EKCNQ3KCNQ2

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-2527338-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL) -3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-05-06 EP disclosed
EP-2181105-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
WO-2009000811-A1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2008-12-31 WO disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 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 (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-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 TSHR 1031/4885CYP3A4 224/4885CA9 339/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 TSHR 1031/4885CYP3A4 224/4885CA9 339/4885

“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.