SCHEMBL13741291

SCHEMBL13741291

CC(C)N1CCC(OCCN2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.51
▸ NPC1 O15118 1/20 0.46
▸ VCP P55072 1/20 0.40
▸ NSD2 O96028 2/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CARM1 Q86X55 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
SCHEMBL22520618 0.87 NPC1 (0.56) HRH3NPC1VCP
SCHEMBL26949131 0.84 NPC1 (0.53) HRH3NPC1VCP
SCHEMBL13086520 0.83 NPC1 (0.52) HRH3NPC1LIPGMCHR1EPHX2
SCHEMBL26949128 0.83 NPC1 (0.47) HRH3NPC1VCPCARM1
SCHEMBL18389833 0.82 NPC1 (0.58) HRH3NPC1VCP
SCHEMBL24233184 0.81 NPC1 (0.46) HRH3NPC1VCPCARM1
SCHEMBL14652222 0.81 NPC1 (0.46) HRH3NPC1LIPGMCHR1MEN1
SCHEMBL25122525 0.80 NPC1 (0.45) HRH3NPC1VCPCARM1
SCHEMBL24943534 0.80 HRH3 (0.44) HRH3MEN1KMT2A
SCHEMBL18855748 0.80 NPC1 (0.71) NPC1LIPGMCHR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 — — US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 — — 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 HRH3 1828/4885NPC1 4245/4885VCP 3449/4885

“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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