SCHEMBL19632976

SCHEMBL19632976

CCCCCCCCCCOC(=O)C[C@H](CC(N)=O)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
HTR2C P28335 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAD52 P43351 1/20 0.43
LMNA P02545 1/20 0.42
FAAH O00519 1/20 0.42
DGKA P23743 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
EPHX1 P07099 1/20 0.39
ACHE P22303 3/20 0.38
TSHR P16473 2/20 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
SCHEMBL19288051 1.00 NAAA (0.49) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL27873998 0.94 ATM (0.41) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL4889294 0.92 NAAA (0.56) NAAAHTR2CNPSR1RAD52FAAH
SCHEMBL4889296 0.87 NAAA (0.50) NAAAHTR2CNPSR1RAD52FAAH
SCHEMBL27857355 0.81 CACNA2D1 (0.39) TSHR
SCHEMBL21589071 0.81 CACNA2D1 (0.39) TSHR
SCHEMBL4329152 0.81 CACNA2D1 (0.39) TSHR
SCHEMBL20097532 0.80 CACNA2D1 (0.51) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL27560470 0.80 ATM (0.44) NAAAHTR2CNPSR1RAD52FAAH
SCHEMBL4886378 0.79 NAAA (0.45) NAAAHTR2CNPSR1RAD52FAAH

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-20170334836-A1 METHOD FOR PREPARING 3-CARBAMOYMETHYL-5-METHYLHEXANOIC ACID IN RECYCLING WAY ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-23 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-20170334836-A1 METHOD FOR PREPARING 3-CARBAMOYMETHYL-5-METHYLHEXANOIC ACID IN RECYCLING WAY ALKBH5, ALKBH3, ALKBH1 NAAA 265/4885HTR2C 584/4885PRSS1 4427/4885

“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.