SCHEMBL1338415

SCHEMBL1338415

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cc3occc3n2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR2 O43614 3/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL1338571 0.92 HCRTR1 (0.46) HCRTR1ALDH1A1MAPK1MAPTALOX15
SCHEMBL3414149 0.87 HCRTR1 (0.36) HCRTR1HCRTR2TP53SMN1; SMN2
SCHEMBL1338564 0.82 HCRTR1 (0.40) HCRTR1ALDH1A1L3MBTL1HCRTR2
SCHEMBL3411609 0.80 HCRTR1 (0.41) HCRTR1MAPTHCRTR2SMN1; SMN2
SCHEMBL1340412 0.79 HCRTR1 (0.38) HCRTR1ALDH1A1MAPTALOX15HCRTR2
SCHEMBL1338187 0.79 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2POLBHPGD
SCHEMBL1338185 0.79 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2POLBHPGD
SCHEMBL3431383 0.79 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2POLBHPGD
SCHEMBL1339872 0.79 HCRTR1 (0.39) HCRTR1ALDH1A1MAPTHCRTR2HTT
SCHEMBL1338056 0.77 HCRTR1 (0.44) 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 1/4885ALDH1A1 747/4885MAPK1 2380/4885

“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.