SCHEMBL18548003

SCHEMBL18548003

CC(C)(C)OC(=O)N1CCC(c2nn(S(=O)(=O)c3ccccc3)c3ccc(C(O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.51
STS P08842 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
TGFBR1 P36897 3/20 0.41
THRB P10828 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL18547645 0.85 CNR1 (0.53) CNR1
SCHEMBL18547964 0.82 CNR1 (0.55) CNR1
SCHEMBL26911683 0.78 GPR119 (0.45) CNR1STSKMT2ATP53HTR6
SCHEMBL29468194 0.78 GPR119 (0.45) CNR1STSKMT2ATP53HTR6
SCHEMBL24330062 0.77 CNR1 (0.45) CNR1TP53LMNATHRBHTR6
SCHEMBL18547724 0.75 CNR1 (0.56) CNR1STSMEN1KMT2AUSP2
SCHEMBL5253182 0.74 CNR1 (0.47) CNR1HTR6
SCHEMBL24331519 0.73 TP53 (0.44) MEN1KMT2ATP53LMNAHTR6
SCHEMBL18547675 0.72 CNR1 (0.58) CNR1MEN1KMT2AUSP2HPGD
SCHEMBL18547068 0.70 CNR1 (0.52) CNR1STSMEN1KMT2AUSP2

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 CNR1 1/4885STS 2349/4885MEN1 3669/4885

“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.