SCHEMBL785530

SCHEMBL785530

CN(C(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccc5cnccc5c4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.37
JAK1 P23458 6/20 0.37
CTSS P25774 1/20 0.36
NPY5R Q15761 4/20 0.35
F10 P00742 3/20 0.35
USP30 Q70CQ3 1/20 0.34
MRGPRX2 Q96LB1 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL784572 0.92 F10 (0.39) JAK2JAK1CTSSNPY5RF10
SCHEMBL785136 0.91 F10 (0.38) JAK2JAK1CTSSNPY5RF10
SCHEMBL784402 0.89 CTSS (0.40) JAK2JAK1CTSSF10USP30
SCHEMBL784649 0.87 TAS1R3 (0.41) JAK2JAK1CTSS
SCHEMBL785326 0.87 F10 (0.38) JAK2JAK1CTSSNPY5RF10
SCHEMBL785714 0.86 TRPV1 (0.38) JAK2JAK1CTSSNPY5RF10
SCHEMBL785879 0.86 CTSS (0.42) JAK2JAK1CTSSF10
SCHEMBL784614 0.86 CTSS (0.35) JAK2JAK1CTSSNPY5RF10
SCHEMBL785440 0.86 CTSS (0.38) JAK2JAK1CTSSNPY5RF10
SCHEMBL784656 0.86 ABL1 (0.40) CTSSNPY5RF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 JAK2 1298/4885JAK1 1517/4885CTSS 824/4885

“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.