SCHEMBL18548006

SCHEMBL18548006

OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2[nH]nc(NC3CCNCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.52
CNR1 P21554 8/20 0.46
CNR2 P34972 2/20 0.42
HTR6 P50406 2/20 0.42

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
SCHEMBL18548038 0.80 CNR1 (0.68) MCHR1CNR1CNR2
SCHEMBL17557703 0.75 CNR1 (0.49) CNR1CNR2
SCHEMBL12846335 0.69 MCHR1 (0.46) MCHR1CNR1HTR6
SCHEMBL655632 0.69 POLB (0.58) HTR6
SCHEMBL16636882 0.68 CYP1A2 (0.53) MCHR1
SCHEMBL3548783 0.68 HTR6 (0.70) HTR6
Hydrochloric Acid SCHEMBL15566720 0.67 POLB (0.56) HTR6
SCHEMBL5409211 0.65 ITK (0.60) HTR6
SCHEMBL18548020 0.64 CNR1 (0.63) CNR1CNR2
Hydrochloric Acid SCHEMBL5417051 0.64 ITK (0.59) HTR6

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
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 MCHR1 264/4885CNR1 1/4885CNR2 3/4885

“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.