SCHEMBL215917

SCHEMBL215917

O=C(Nc1ccc(OCCCN2CCN(C(=O)O)CC2)cc1C(F)(F)F)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SCD O00767 1/20 0.39
MAPT P10636 2/20 0.39
MTOR P42345 1/20 0.39
DRD3 P35462 4/20 0.39
DRD2 P14416 2/20 0.39
LTA4H P09960 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2735363 0.92 NPC1 (0.40) NPC1RAB9ASCDMAPTMTOR
SCHEMBL214760 0.92 MEN1 (0.41) PDE3BPDE3AMAPTDRD3DRD2
SCHEMBL4412205 0.90 DRD3 (0.42) NPC1RAB9AMAPTDRD3DRD2
SCHEMBL13320334 0.83 MEN1 (0.41) PDE3BPDE3AMAPTDRD3DRD2
SCHEMBL214368 0.82 DRD3 (0.41) PDE3BPDE3AMAPTDRD3DRD2
SCHEMBL2735429 0.81 DRD3 (0.42) NPC1RAB9AMAPTDRD3DRD2
SCHEMBL216183 0.81 DRD3 (0.42) NPC1RAB9AMAPTDRD3DRD2
Hydrochloric Acid SCHEMBL215263 0.81 DRD3 (0.41) NPC1RAB9AMAPTDRD3DRD2
SCHEMBL2735374 0.81 LTA4H (0.42) MAPTLTA4HALDH1A1SMN1; SMN2
SCHEMBL2735438 0.81 LTA4H (0.42) MAPTLTA4HALDH1A1SMN1; SMN2

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885PDE3B 1167/4885

“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.