SCHEMBL19097553

SCHEMBL19097553

CCc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QDPR P09417 4/20 0.55
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TLR9 Q9NR96 6/20 0.43
TLR8 Q9NR97 6/20 0.43
TLR7 Q9NYK1 6/20 0.43
TDP1 Q9NUW8 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL17395638 0.83 QDPR (0.57) QDPRTLR9TLR8TLR7TDP1
SCHEMBL5882387 0.81 QDPR (0.47) QDPR
SCHEMBL19097560 0.81 QDPR (0.54) QDPRALDH1A1TLR9TLR8TLR7
SCHEMBL19097388 0.80 QDPR (0.76) QDPRALDH1A1MEN1KMT2A
SCHEMBL19107647 0.77 QDPR (0.50) QDPRALDH1A1TDP1NAMPTHTR2B
SCHEMBL17397799 0.76 TLR9 (0.44) QDPRTLR9TLR8TLR7NAMPT
SCHEMBL11161163 0.76 ACMSD (0.57) QDPR
SCHEMBL17397714 0.76 TDP1 (0.47) TDP1MEN1KMT2AMAPT
SCHEMBL2721166 0.75 ESR2 (0.53)
SCHEMBL20884951 0.75 F2R (0.58) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164396-B1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2019-01-16 EP disclosed
US-9957254-B2 Cyclohexen-1-yl-pyridin-2-yl-1h-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2018-05-01 US disclosed
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-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
US-20170197941-A1 CYCLOHEXEN-1-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
US-20170197941-A1 CYCLOHEXEN-1-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
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
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

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-20170197941-A1 CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B2 QDPR 446/4885KDM4E 1992/4885ALDH1A1 546/4885
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 315/4885KDM4E 2888/4885ALDH1A1 769/4885

“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.