SCHEMBL2185163

SCHEMBL2185163

O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCOc1cc(Cl)ccc1-2

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.68
▸ CNR1 P21554 8/20 0.68
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ GPR55 Q9Y2T6 1/20 0.60

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
SCHEMBL2186048 0.94 CNR2 (0.73) CNR2CNR1TDP1
SCHEMBL2186076 0.93 CNR2 (0.74) CNR2CNR1TDP1
SCHEMBL2185138 0.91 CNR2 (0.65) CNR2CNR1TDP1
SCHEMBL2187831 0.89 CNR2 (0.54) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL2185805 0.89 CNR1 (0.63) CNR2CNR1
SCHEMBL2186833 0.88 CNR2 (0.72) CNR2CNR1TDP1
SCHEMBL2186051 0.87 CNR2 (0.68) CNR2CNR1TDP1
SCHEMBL2187202 0.87 CNR2 (0.73) CNR2CNR1TDP1
SCHEMBL2492413 0.83 CNR2 (0.52) CNR2CNR1
SCHEMBL16161285 0.83 CNR2 (0.59) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030345-B2 Tricyclic pyrazole derivatives as cannabinoid receptor modulators CADILA HEALTHCARE LIMITED (IN) 2011-10-04 — — US claimed
EP-2343302-A1 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2011-07-13 — — EP claimed
US-20100273791-A1 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED 2010-10-28 — — US claimed
US-8030345-B2 Tricyclic pyrazole derivatives as cannabinoid receptor modulators CADILA HEALTHCARE LIMITED (IN) 2011-10-04 — — US disclosed
EP-2343302-A1 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2011-07-13 — — EP disclosed
US-20100273791-A1 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED 2010-10-28 — — 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-20100273791-A1 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, GPR55 CNR2 1/4885CNR1 2/4885KDM4E 3333/4885

“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.

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