SCHEMBL1340412

SCHEMBL1340412

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cn(C)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 2/20 0.37
ADRA2A P08913 2/20 0.37
CHRM1 P11229 2/20 0.37
ADRA2B P18089 2/20 0.37
CHRM3 P20309 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR4 Q13639 2/20 0.37

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
SCHEMBL1338086 0.92 HCRTR1 (0.47) HCRTR1HCRTR2BCHEACHELMNA
SCHEMBL3415281 0.90 HCRTR1 (0.34) HCRTR1HCRTR2LMNAALDH1A1RAB9A
SCHEMBL3415476 0.82 HCRTR1 (0.42) HCRTR1HCRTR2LMNACHRM3
SCHEMBL1338185 0.81 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL1338187 0.81 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL3431383 0.81 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL1340849 0.80 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1338415 0.79 HCRTR1 (0.40) HCRTR1HCRTR2LMNAALDH1A1MAPT
SCHEMBL1338056 0.79 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3413899 0.79 HCRTR1 (0.42) HCRTR1HCRTR2CHRM1P2RX7

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 2/4885BCHE 536/4885

“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.