SCHEMBL3598394

SCHEMBL3598394

O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2cn(Cc3ccccc3)c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
SLC2A1 P11166 1/20 0.51
HRH2 P25021 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
DRD2 P14416 1/20 0.49
HTR6 P50406 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
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 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
SCHEMBL3605157 0.93 SLC2A1 (0.53) SIGMAR1SLC2A1DRD2HTR6PRKAB2
SCHEMBL5204138 0.88 MGLL (0.49) SIGMAR1SLC2A1HTR6HDAC3HDAC1
SCHEMBL4862016 0.86 SLC5A1 (0.49) SIGMAR1SLC2A1HTR6HDAC3HDAC1
SCHEMBL5203686 0.84 SLC5A1 (0.49) SIGMAR1SLC2A1HRH2HTR2AHTR2C
SCHEMBL4853030 0.84 HDAC3 (0.46) SIGMAR1SLC2A1HRH2HTR2AHTR2C
SCHEMBL5204533 0.83 ALDH1A1 (0.46) SIGMAR1HRH2MEN1KMT2AHDAC3
SCHEMBL5204227 0.82 SLC2A1 (0.46) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL14084478 0.80 HTR2A (0.55) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL5204238 0.80 HSD11B1 (0.47) SLC2A1HTR2BDRD2HTR6MEN1
SCHEMBL4857565 0.79 HDAC3 (0.46) SLC2A1HRH2HTR2AHTR2CHTR2B

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 9 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-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP claimed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO 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 SIGMAR1 2336/4885SLC2A1 2950/4885HRH2 2320/4885

“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.