SCHEMBL3605157

SCHEMBL3605157

O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
HSD11B1 P28845 2/20 0.52
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3598394 0.93 SIGMAR1 (0.57) SLC2A1HSD11B1SIGMAR1PRKAB2PRKAG1
SCHEMBL5204138 0.87 MGLL (0.49) SLC2A1SIGMAR1ALDH1A1HDAC3HDAC1
SCHEMBL3598410 0.86 SMO (0.54) SLC2A1SLC5A1SLC5A2PRKAB2PRKAG1
SCHEMBL4862016 0.85 SLC5A1 (0.49) SLC2A1SLC5A1SLC5A2SIGMAR1ALDH1A1
SCHEMBL3615414 0.85 SLC2A1 (0.64) SLC2A1HSD11B1SLC5A1SLC5A2ALDH1A1
SCHEMBL5203686 0.83 SLC5A1 (0.49) SLC2A1HSD11B1SLC5A1SLC5A2SIGMAR1
SCHEMBL4853030 0.83 HDAC3 (0.46) SLC2A1SLC5A1SLC5A2SIGMAR1ALDH1A1
SCHEMBL20431459 0.83 SLC2A1 (0.57) SLC2A1HSD11B1SLC5A1SLC5A2ALDH1A1
SCHEMBL5204227 0.81 SLC2A1 (0.46) SLC2A1ALDH1A1NPSR1HDAC3HDAC1
SCHEMBL5204533 0.81 ALDH1A1 (0.46) HSD11B1SIGMAR1ALDH1A1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US claimed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SLC2A1 2950/4885HSD11B1 478/4885SLC5A1 3983/4885

“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.