SCHEMBL7866445

SCHEMBL7866445

CCOc1cc(Cl)ncc1C(=O)N(C)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
POLQ O75417 1/20 0.39
HSD17B10 Q99714 2/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
RORC P51449 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 2/20 0.34

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
SCHEMBL16804950 0.87 LRRK2 (0.38) POLQKCNQ3KCNQ2RORCPIK3CA
SCHEMBL12343374 0.81 PIK3CA (0.40) PIK3CAMTORRAB9AMEN1ALDH1A1
SCHEMBL30645693 0.81 PIK3CA (0.40) PIK3CAMTORRAB9AMEN1ALDH1A1
SCHEMBL7866700 0.81 TSHR (0.51) TSHRCYP3A4POLQHSD17B10KCNQ3
SCHEMBL24612469 0.80 NNMT (0.40) KCNQ3KCNQ2PIK3CAMTORRAB9A
SCHEMBL7869563 0.79 TSHR (0.59) TSHRCYP3A4POLQHSD17B10KCNQ3
SCHEMBL8567650 0.79 KDM4E (0.42) TSHRCYP3A4KDM4ESMN1; SMN2NPC1
SCHEMBL8282929 0.78 PIK3CA (0.38) PIK3CAMTORMAPTRAB9ATDP1
SCHEMBL30567605 0.78 PIK3CA (0.38) PIK3CAMTORMAPTRAB9ATDP1
SCHEMBL16782957 0.77 CNR2 (0.38) POLQ

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 224/4885POLQ 1347/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 TSHR 1031/4885CYP3A4 224/4885POLQ 1347/4885

“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.