SCHEMBL5164635

SCHEMBL5164635

CN(C(=O)C(Nc1cccc(CN)c1)c1ccccc1)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.53
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CACNA2D1 P54289 1/20 0.41
ALDH1A1 P00352 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
TSHR P16473 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5164038 0.85 F10 (0.73) F10CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL14408295 0.84 F10 (0.51) F10CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL14408267 0.84 F10 (0.59) F10CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL5166029 0.84 F10 (0.73) F10ALDH1A1TSHRLMNAHPGD
SCHEMBL5163720 0.84 F10 (0.73) F10ALDH1A1TSHRLMNAHPGD
SCHEMBL5377575 0.83 F10 (0.72) F10CACNA2D1ALDH1A1TSHRLMNA
SCHEMBL5164564 0.83 F10 (0.59) F10ALDH1A1TSHRLMNAHPGD
SCHEMBL5164646 0.81 F10 (0.69) F10CYP2D6CYP1A2CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL28750050 0.80 F10 (0.68) F10CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL5164863 0.77 F10 (0.71) F10CYP2D6CYP1A2CYP2C9CACNA2D1

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 6/4885CYP2D6 335/4885CYP1A2 162/4885

“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.