SCHEMBL5902441

SCHEMBL5902441

COC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.57
▸ CNR1 P21554 3/20 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
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL8367182 0.93 CNR2 (0.50) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8369228 0.91 SMN1; SMN2 (0.52) CNR2CNR1MEN1KMT2APOLB
SCHEMBL8368094 0.89 HDAC3 (0.50) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8369821 0.88 HDAC3 (0.49) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL5902998 0.87 CNR2 (0.57) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL5903036 0.87 CNR2 (0.59) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8313106 0.86 CNR2 (0.56) CNR2CNR1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8369717 0.86 CNR2 (0.56) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8366684 0.85 MEN1 (0.53) CNR2CNR1HDAC3HDAC4HDAC1
SCHEMBL8369780 0.85 SLC16A3 (0.52) CNR2CNR1MALT1RAB9A

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.

Send feedback