SCHEMBL16638650

SCHEMBL16638650

NCCNCCN(CCN)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 4/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 2/20 0.41
BLM P54132 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
HDAC3 O15379 1/20 0.41
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL17433040 0.96 LMNA (0.39) CYP2C9CYP2C19LMNAKMT2ATHRB
SCHEMBL17433041 0.94 CYP2C9 (0.43) CYP2C9CYP2C19LMNAKMT2ATHRB
SCHEMBL17433042 0.92 CYP2C9 (0.42) CYP2C9CYP2C19LMNAKMT2ATHRB
SCHEMBL17433001 0.91 LMNA (0.35) CYP2C9CYP2C19LMNAKMT2ATHRB
SCHEMBL9885894 0.90 LMNA (0.47) CYP2C9CYP2C19LMNAKMT2ATHRB
SCHEMBL16638637 0.87 CYP2C9 (0.41) CYP2C9CYP2C19LMNAKMT2AHDAC6
SCHEMBL468687 0.85 LMNA (0.48) CYP2C19LMNAKMT2ATHRBBLM
SCHEMBL3421968 0.85 LMNA (0.48) CYP2C19LMNAKMT2ATHRBBLM
SCHEMBL30047325 0.85 LMNA (0.43) CYP2C9CYP2C19LMNAKMT2ATHRB
SCHEMBL10060617 0.84 MAOA (0.35) CYP2C9CYP2C19LMNAKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 CYP2C9 903/4885CYP2C19 1251/4885LMNA 402/4885

“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.