SCHEMBL22424945

SCHEMBL22424945

OC[C@H]1CC[C@H](c2ccnc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CAMKK1 Q8N5S9 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL19277309 1.00 TP53 (0.44) TP53MAPTNPC1RAB9APTK2B
SCHEMBL22408885 1.00 TP53 (0.44) TP53MAPTNPC1RAB9APTK2B
SCHEMBL28706035 0.90 PDK2 (0.44) MAPTSMN1; SMN2ESR1CYP3A4CYP2C9
SCHEMBL29392938 0.87 MAPT (0.54) TP53MAPTNPC1RAB9APTK2B
SCHEMBL17075123 0.87 MAPT (0.54) TP53MAPTNPC1RAB9APTK2B
SCHEMBL28201822 0.86 TP53 (0.45) TP53MAPTNPC1RAB9APTK2B
SCHEMBL21146036 0.85 TP53 (0.44) TP53MAPTNPC1RAB9APTK2B
SCHEMBL21146029 0.85 TP53 (0.44) TP53MAPTNPC1RAB9APTK2B
SCHEMBL22408881 0.85 TP53 (0.44) TP53MAPTNPC1RAB9APTK2B
SCHEMBL22808945 0.85 TP53 (0.44) TP53MAPTNPC1RAB9APTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 — — 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-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 TP53 2459/4885MAPT 2573/4885NPC1 1516/4885

“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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