SCHEMBL12791900

SCHEMBL12791900

CCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCC)CCc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.44
NAAA Q02083 1/20 0.43
HPGD P15428 1/20 0.42
DNM1 Q05193 2/20 0.42
DRD2 P14416 5/20 0.41
FAAH O00519 2/20 0.41
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 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
SCHEMBL12792322 1.00 CASP2 (0.44) CASP2NAAAHPGDDNM1DRD2
SCHEMBL12791765 1.00 CASP2 (0.44) CASP2NAAAHPGDDNM1DRD2
SCHEMBL18871254 0.88 CASP2 (0.51) CASP2NAAAHPGDDNM1FAAH
SCHEMBL17952398 0.88 CASP2 (0.51) CASP2NAAAHPGDDNM1FAAH
SCHEMBL7977295 0.84 FAAH (0.52) CASP2NAAAHPGDDNM1FAAH
SCHEMBL7971173 0.84 FAAH (0.52) CASP2NAAAHPGDDNM1FAAH
SCHEMBL16330407 0.83 HDAC3 (0.36)
SCHEMBL17817370 0.83 FAAH (0.50) DNM1FAAHMEN1MAPTKMT2A
SCHEMBL7961176 0.83 FAAH (0.50) CASP2HPGDDNM1FAAHMEN1
SCHEMBL10820667 0.82 HRH3 (0.41) FAAHICMTALBMEN1KMT2A

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 4 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
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 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 (3 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB CASP2 1497/4885NAAA 625/4885HPGD 2520/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 CASP2 3638/4885NAAA 78/4885HPGD 2400/4885
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 CASP2 3638/4885NAAA 78/4885HPGD 2400/4885

“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.