SCHEMBL3604497

SCHEMBL3604497

CCOC(=O)c1ccc(N2CCN(c3nnc(Cl)c4ccccc34)[C@@H](C)C2)nc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SGPL1 O95470 2/20 0.67
▸ P2RY12 Q9H244 2/20 0.49
▸ SMO Q99835 4/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.42
▸ OGA O60502 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ MAPKAPK3 Q16644 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL3604501 1.00 SGPL1 (0.67) SGPL1P2RY12SMOHRH3OGA
SCHEMBL3606423 0.88 P2RY12 (0.59) SGPL1P2RY12SMOHRH3OGA
SCHEMBL13445117 0.87 SGPL1 (0.71) SGPL1P2RY12SMO
SCHEMBL13445116 0.82 SGPL1 (0.68) SGPL1P2RY12SMO
SCHEMBL3600783 0.80 SGPL1 (1.00) SGPL1SMO
SCHEMBL3600788 0.80 SGPL1 (1.00) SGPL1SMO
SCHEMBL3603119 0.78 SGPL1 (0.76) SGPL1SMO
SCHEMBL3603128 0.78 SGPL1 (0.76) SGPL1SMO
SCHEMBL3212858 0.76 NPC1 (0.47) SGPL1SMOHRH3KMT2A
SCHEMBL3212881 0.76 NPC1 (0.47) SGPL1SMOHRH3KMT2A

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
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 — — EP disclosed
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-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
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 — — US disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 — — WO 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 SGPL1 3140/4885P2RY12 4837/4885SMO 5/4885

“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.

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