SCHEMBL345916

SCHEMBL345916

CCCCOC(=O)CC[C@@H](N)C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.49
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
NAAA Q02083 1/20 0.44
P2RY10 O00398 5/20 0.44
GPR34 Q9UPC5 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ATM Q13315 2/20 0.41
DNM1 Q05193 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL345914 1.00 NOD1 (0.49) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL1443698 1.00 NOD1 (0.49) NOD1DGKAHTR2CNAAAP2RY10
Hydrochloric Acid SCHEMBL8725903 0.98 NOD1 (0.48) NOD1DGKAHTR2CNAAAP2RY10
Hydrochloric Acid SCHEMBL14719876 0.98 NOD1 (0.48) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL2452768 0.95 NOD1 (0.54) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL30556 0.95 NOD1 (0.54) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL30558 0.95 NOD1 (0.54) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL10535639 0.93 HTR2C (0.57) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL11966748 0.93 HTR2C (0.57) NOD1DGKAHTR2CNAAAP2RY10
SCHEMBL4947876 0.93 HTR2C (0.57) NOD1DGKAHTR2CNAAAP2RY10

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
EP-3684416-A1 PSMA-TARGETING AMANITIN CONJUGATES Heidelberg Pharma Research GmbH (DE) 2020-07-29 EP disclosed
WO-2019057964-A1 PSMA-TARGETING AMANITIN CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-03-28 WO disclosed
US-9458188-B2 Efficient peptide couplings and their use in the synthesis and isolation of a cyclopenta (G) quinazoline trisodium salt BTG INTERNATIONAL LIMITED (GB) 2016-10-04 US disclosed
US-9107931-B2 Class of cationic lipids for transporting active agents into cells OZ BIOSCIENCES (FR) 2015-08-18 US disclosed
WO-2012087888-A2 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT ONYX PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
US-20120015865-A1 NOVEL CLASS OF CATIONIC LIPIDS FOR TRANSPORTING ACTIVE AGENTS INTO CELLS OZ BIOSCIENCES (FR) 2012-01-19 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-20120015865-A1 NOVEL CLASS OF CATIONIC LIPIDS FOR TRANSPORTING ACTIVE AGENTS INTO CELLS SLC7A1, SLC75A1, SLC47A2 NOD1 3592/4885DGKA 1131/4885HTR2C 4836/4885

“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.