SCHEMBL498591

SCHEMBL498591

Cc1ccc(Cl)cc1C(CCCOC(=O)NC(C)(C)C)OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL499149 0.91 SMN1; SMN2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4754336 0.84 KMT2A (0.37) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL499150 0.73 MAPT (0.38) KDM4EMAPT
SCHEMBL4757403 0.73 MAPT (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8080309 0.68 NOS2 (0.41) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL499262 0.68 NOS2 (0.41) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4755992 0.67 NOS2 (0.43) SMN1; SMN2HPGDCYP1A2ALDH1A1LMNA
SCHEMBL27953236 0.65 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17393935 0.65 ACHE (0.44)
SCHEMBL17660228 0.65 ACHE (0.47) SMN1; SMN2ALDH1A1LMNAALOX15

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP PSEN1 265/4885PSEN2 362/4885APH1B 627/4885

“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.