SCHEMBL18198060

SCHEMBL18198060

O=C(CNCC1CCCCC1)NCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
EPHX1 P07099 3/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
CA9 Q16790 1/20 0.52
CYP2D6 P10635 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL18198134 0.98 KDM4E (0.54) KDM4EPOLBEPHX1CA12CA1
SCHEMBL1378744 0.92 TDP1 (0.54) KDM4EPOLBEPHX1CA12CA1
SCHEMBL12765265 0.82 EPHX1 (0.53) KDM4EPOLBEPHX1CA12CA1
SCHEMBL18198133 0.81 TDP1 (0.44) KDM4EPOLBNPC1RAB9AHPGD
SCHEMBL19910356 0.80 KDM4E (0.51) KDM4EPOLBEPHX1CA12CA1
SCHEMBL12765268 0.80 EPHX1 (0.50) KDM4EPOLBEPHX1CA12CA1
SCHEMBL19910357 0.80 KDM4E (0.51) KDM4EPOLBEPHX1CA12CA1
SCHEMBL15224105 0.80 TDP1 (0.57) KDM4EPOLBEPHX1CA12CA1
SCHEMBL9034674 0.79 ALDH1A1 (0.61) KDM4EPOLBEPHX1CA12CA1
SCHEMBL22197123 0.79 EPHX1 (0.59) KDM4EPOLBEPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 EP disclosed
US-10351576-B2 Fused tricyclic pyrazole derivatives useful for farnesoid X receptors NOVARTIS AG (CH) 2019-07-16 US disclosed
WO-2016174616-A1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-03 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-10351576-B2 Fused tricyclic pyrazole derivatives useful for farnesoid X receptors NR1H4, FXR1, GPBAR1 KDM4E 4664/4885POLB 4671/4885EPHX1 2153/4885

“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.