SCHEMBL2925286

SCHEMBL2925286

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.44
HCRTR2 O43614 8/20 0.44
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MLNR O43193 4/20 0.38
CYP3A4 P08684 3/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
BCAT2 O15382 1/20 0.35

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
SCHEMBL3415826 1.00 HCRTR1 (0.44) HCRTR1HCRTR2SLC6A4SLC6A3CDK4
SCHEMBL2448753 0.92 HCRTR2 (0.41) HCRTR1HCRTR2SLC6A4SLC6A3CDK4
SCHEMBL2448750 0.92 HCRTR2 (0.41) HCRTR1HCRTR2SLC6A4SLC6A3CDK4
SCHEMBL3415640 0.90 TSHR (0.46) HCRTR1HCRTR2TSHRRECQLBCAT2
SCHEMBL2930537 0.90 TSHR (0.46) HCRTR1HCRTR2TSHRRECQLBCAT2
SCHEMBL2931896 0.88 HCRTR2 (0.44) HCRTR1HCRTR2FPR2TSHRRECQL
SCHEMBL3416998 0.88 HCRTR2 (0.44) HCRTR1HCRTR2FPR2TSHRRECQL
SCHEMBL2924530 0.88 SLC6A4 (0.41) HCRTR1HCRTR2SLC6A4SLC6A3MLNR
SCHEMBL2931380 0.88 HCRTR1 (0.46) HCRTR1HCRTR2FPR1FPR2
SCHEMBL2448798 0.88 HCRTR1 (0.46) HCRTR1HCRTR2SLC6A4SLC6A3CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885SLC6A4 1119/4885

“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.