SCHEMBL5166247

SCHEMBL5166247

CCC[C@@H](Oc1cccc(C(=N)N)c1)C(=O)Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.61
PRSS1 P07477 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.43
F2 P00734 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5166567 1.00 F10 (0.61) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5166188 0.99 F10 (0.61) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5164779 0.97 F10 (0.58) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5166225 0.95 F10 (0.60) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5164357 0.94 F10 (0.62) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5163878 0.94 F10 (0.53) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5166914 0.91 F10 (0.59) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL14408282 0.91 F10 (0.51) F10PRSS1SMN1; SMN2NPC1RAB9A
SCHEMBL5164522 0.91 F10 (0.50) F10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5163285 0.91 F10 (0.61) F10PRSS1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US claimed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 F10 6/4885PRSS1 88/4885SMN1; SMN2 3430/4885

“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.