SCHEMBL1669837

SCHEMBL1669837

CC(N)(CN)CCCCCCCCC(C)(N)CN

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
SMPD1 P17405 2/20 0.34
FDPS P14324 2/20 0.34

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
SCHEMBL10791301 0.97 CYP2D6 (0.39) CYP2D6SMPD1FDPS
SCHEMBL11102665 0.89 SMPD1 (0.48) SMPD1FDPS
SCHEMBL11234308 0.89 SMPD1 (0.48) SMPD1FDPS
SCHEMBL11235739 0.89 SMPD1 (0.48) SMPD1FDPS
SCHEMBL11182482 0.89 SMPD1 (0.48) SMPD1FDPS
SCHEMBL11137970 0.88 NFKB1 (0.39) CYP2D6FDPS
SCHEMBL11576404 0.86 FDPS (0.46) SMPD1FDPS
SCHEMBL11097547 0.82
SCHEMBL15837123 0.82
SCHEMBL7021287 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434678-B2 Process for preparing alkyl pyroglutamic acids ANGUS CHEMICAL COMPANY (US) 2016-09-06 US claimed
EP-2935202-B1 PROCESS FOR PREPARING ALKYL PYROGLUTAMIC ACIDS ANGUS CHEMICAL (US) 2017-08-09 EP disclosed
US-9434678-B2 Process for preparing alkyl pyroglutamic acids ANGUS CHEMICAL COMPANY (US) 2016-09-06 US disclosed
US-20160194271-A1 PROCESS FOR PREPARING ALKYL PYROGLUTAMIC ACIDS ADVANCION CORPORATION 2016-07-07 US disclosed
EP-2935202-A1 PROCESS FOR PREPARING ALKYL PYROGLUTAMIC ACIDS ANGUS CHEMICAL COMPANY (US) 2015-10-28 EP disclosed
EP-2464622-B1 LOW-VOC POLYAMINES ANGUS CHEMICAL (US) 2014-07-23 EP disclosed
WO-2014100591-A1 PROCESS FOR PREPARING ALKYL PYROGLUTAMIC ACIDS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-26 WO disclosed
US-8722936-B2 Low-VOC polyamines ANGUS CHEMICAL COMPANY (US) 2014-05-13 US disclosed
US-20120196963-A1 LOW-VOC POLYAMINES ANGUS CHEMICAL COMPANY (US) 2012-08-02 US disclosed
EP-2464622-A1 LOW-VOC POLYAMINES ANGUS Chemical Company (US) 2012-06-20 EP disclosed
WO-2011044472-A1 LOW-VOC POLYAMINES ANGUS CHEMICAL COMPANY (US) 2011-04-14 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-20120196963-A1 LOW-VOC POLYAMINES C3AR1, C5AR1, C1S CYP2D6 2235/4885SMPD1 595/4885FDPS 831/4885
US-20160194271-A1 PROCESS FOR PREPARING ALKYL PYROGLUTAMIC ACIDS FPGS, GLUL, HOGA1 CYP2D6 1235/4885SMPD1 3358/4885FDPS 649/4885

“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.