SCHEMBL1338564

SCHEMBL1338564

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cc(C)nn2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 3/20 0.40
CACNA1H O95180 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL1337960 0.91 HCRTR1 (0.49) HCRTR1HCRTR2CACNA1H
SCHEMBL1339872 0.90 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1HDAC6NAMPT
SCHEMBL3414488 0.86 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL1338185 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3431383 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1338187 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1338415 0.82 HCRTR1 (0.40) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL1340469 0.82 HCRTR1 (0.48) HCRTR1HCRTR2NAMPT
SCHEMBL3415789 0.80 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL1340331 0.80 HCRTR1 (0.42) HCRTR1HCRTR2L3MBTL1ALDH1A1CYP1A2

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 2/4885CACNA1H 460/4885

“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.