SCHEMBL1339997

SCHEMBL1339997

Nc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2scc3c2OCCO3)c(-c2cccc(F)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.46
HCRTR2 O43614 10/20 0.46
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL1338936 0.90 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1GAATSHR
SCHEMBL1338803 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3413767 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2127224 0.86 HCRTR1 (0.40) HCRTR1HCRTR2ALDH1A1GAATSHR
SCHEMBL3415736 0.85 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL1338651 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1339327 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1339124 0.84 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1339862 0.84 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1338501 0.82 HCRTR1 (0.46) HCRTR1HCRTR2

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-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US claimed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US claimed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885ALDH1A1 747/4885

“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.