SCHEMBL1127830

SCHEMBL1127830

C[C@@H](CCCCCCF)C[C@H](C)N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL1127373 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1OPRM1TRPV1
SCHEMBL1127822 0.91 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1OPRM1LMNA
SCHEMBL1127741 0.91 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1OPRM1LMNA
Bicarbonate SCHEMBL3813582 0.88 GABRP (0.38) ALDH1A1TSHRMAPK1OPRM1
SCHEMBL829502 0.84 TRPV1 (0.41) ALDH1A1TSHRMAPK1OPRM1TRPV1
SCHEMBL23028519 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1OPRM1TRPV1
SCHEMBL28643674 0.80 OPRM1 (0.55) ALDH1A1TSHRMAPK1OPRM1TRPV1
SCHEMBL17143544 0.80
SCHEMBL3366461 0.79 OPRM1 (0.61) OPRM1LMNASPHK1
SCHEMBL16240597 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1OPRM1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-14 US disclosed
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them PIRAMAL IMAGING SA (CH) 2011-03-17 US disclosed
EP-2282981-A1 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-16 EP disclosed
WO-2009141090-A9 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-25 WO disclosed
WO-2009141090-A1 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 WO 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 (2 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-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them GLUL, GATD3, QPCT ALDH1A1 1003/4885TSHR 2389/4885MAPK1 2822/4885
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM GLUL, GATD3, QPCT ALDH1A1 814/4885TSHR 2819/4885MAPK1 2577/4885

“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.