SCHEMBL5263268

SCHEMBL5263268

O=C(NN1CCCCC1)c1[nH]nc2ccncc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 8/20 0.38
CNR2 P34972 4/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL5263270 0.77 WNT1 (0.47) HTTMAPK8MAPK10
SCHEMBL1689095 0.77 HTT (0.38) HTTMAPK8MAPK10LMNAPOLB
SCHEMBL4716590 0.73 DHODH (0.38) PARP1
SCHEMBL5772250 0.71 CCNA2 (0.45) HTTMAPK8
SCHEMBL16516965 0.71 ALDH1A1 (0.44) HTTLMNAPARP1
SCHEMBL12468204 0.70 ELANE (0.37) LMNA
SCHEMBL2999120 0.70 HTT (0.69) HTTLMNAPOLB
SCHEMBL29634479 0.68 HTT (0.66) HTTLMNA
SCHEMBL1689099 0.68 MAPK8 (0.40) HTTMAPK8MAPK10LMNAPOLB
SCHEMBL29634427 0.66 HTT (0.63) HTTLMNAPOLB

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-1804791-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-11 EP claimed
WO-2006049880-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO claimed
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-27 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 (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-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators CNR2, CNR1, GPR18 HTT 2890/4885MAPK8 2147/4885MAPK10 1547/4885

“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.