SCHEMBL5903036

SCHEMBL5903036

Cc1ccc(Cn2nc(C(=O)Cl)cc2-c2ccc(Cl)c(C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.59
▸ CNR1 P21554 4/20 0.57
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ NCOR2 Q9Y618 2/20 0.47
▸ MALT1 Q9UDY8 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ MARS1 P56192 1/20 0.43
▸ RPA1 P27694 1/20 0.43

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
SCHEMBL5902998 0.90 CNR2 (0.57) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8369248 0.90 CNR2 (0.50) CNR2CNR1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8369717 0.89 CNR2 (0.56) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8313106 0.89 CNR2 (0.56) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8369218 0.88 RPA1 (0.51) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8368110 0.88 CNR2 (0.49) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL5902441 0.87 CNR2 (0.57) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL27436131 0.86 CNR2 (0.47) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8369089 0.83 CNR2 (0.44) CNR2CNR1MALT1MGLLMARS1
SCHEMBL8369627 0.82 CNR2 (0.44) CNR2CNR1HDAC6MARS1RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060172019-A1 Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders ABERDEEN, THE UNIVERSITY COURT OF THE UNIVERSITY OF (GB) 2006-08-03 — — US disclosed
EP-1606019-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS The University Court of The University of Aberdeen (GB) 2005-12-21 — — EP disclosed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 — — WO disclosed
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 — — WO disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 — — 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-20060172019-A1 Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders CNR2, CNR1, GPER1 CNR2 1/4885CNR1 2/4885HDAC3 509/4885

“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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