SCHEMBL2933019

SCHEMBL2933019

O=C(NC[C@H]1NC[C@H]2C[C@H]21)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FUCA1 P04066 1/20 0.34
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HPSE Q9Y251 1/20 0.32
GLA P06280 2/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL1340003 1.00 PKM (0.37) PKMALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3409585 1.00 PKM (0.37) PKMALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2933021 1.00 PKM (0.37) PKMALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1340005 1.00 PKM (0.37) PKMALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL496624 0.90 FUCA1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL496625 0.90 FUCA1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13451861 0.80 PKM (0.46) PKMFUCA1GLACHRNB2CHRNA4
SCHEMBL2925124 0.71 OPRM1 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2925121 0.71 OPRM1 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2925127 0.71 OPRM1 (0.47) ALDH1A1SMN1; SMN2KMT2A

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 5 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 disclosed
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
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US 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 PKM 4823/4885ALDH1A1 702/4885POLB 2990/4885

“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.