SCHEMBL17398136

SCHEMBL17398136

O=C(O)N1CCC(c2ccc(O)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 4/20 0.56
SPR P35270 3/20 0.50
ACMSD Q8TDX5 2/20 0.45
IDO1 P14902 2/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM1A O60341 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL4725995 0.84 IDO1 (0.56) QDPRSPRIDO1HSD11B1MAPT
SCHEMBL25430208 0.82 QDPR (0.56) QDPRSPRACMSDIDO1
SCHEMBL17395592 0.82 QDPR (0.60) QDPRSPRACMSDHSD11B1TP53
SCHEMBL23122328 0.82 QDPR (0.56) QDPRSPRACMSD
SCHEMBL4782539 0.81 IDO1 (0.47) QDPRSPRIDO1LMNATP53
SCHEMBL10508547 0.80 QDPR (0.50) QDPRACMSD
SCHEMBL19103523 0.80 NAMPT (0.52) QDPRMAPT
SCHEMBL29566733 0.80 QDPR (0.73) QDPRLMNAPRKAB2PRKAG1PRKAA2
SCHEMBL2098866 0.79 HSD11B1 (0.58) IDO1HSD11B1LMNATP53MAPT
SCHEMBL23122840 0.79 QDPR (0.56) QDPRSPRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
EP-3164399-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
WO-2016001876-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 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-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B2, GUCY1A2, GUCY1A1 QDPR 315/4885SPR 783/4885ACMSD 2341/4885

“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.