SCHEMBL3613375

SCHEMBL3613375

CCC[C@](OCCN)(c1cccc(Cl)c1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
STS P08842 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MAPT P10636 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL3613379 1.00 REN (0.41) RENFNTAFNTBTP53POLB
SCHEMBL3613911 0.92 REN (0.42) RENFNTAFNTBTP53POLB
SCHEMBL3613909 0.92 REN (0.42) RENFNTAFNTBTP53POLB
SCHEMBL27737826 0.90 REN (0.42) REN
SCHEMBL4971952 0.90 REN (0.42) REN
SCHEMBL4970049 0.89 REN (0.42) REN
SCHEMBL3612250 0.89 STS (0.41) RENFNTAFNTBTP53POLB
SCHEMBL3612249 0.89 STS (0.41) RENFNTAFNTBTP53POLB
SCHEMBL3615894 0.88 REN (0.48) RENANO1USP30ACKR3
SCHEMBL3609024 0.88 FNTA (0.39) RENFNTAFNTBTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 REN 180/4885FNTA 1668/4885FNTB 3578/4885

“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.