SCHEMBL17664591

SCHEMBL17664591

CCNC(=O)CCCC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
GLA P06280 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.44
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NAAA Q02083 1/20 0.42
HSD11B1 P28845 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6392805 0.89 HPGD (0.56) GLACYP1A2HPGDALDH1A1HSD11B1
SCHEMBL6607606 0.87 HPGD (0.59) GLANPC1RAB9AHPGDALDH1A1
SCHEMBL13636416 0.87 HPGD (0.59) GLANPC1RAB9AHPGDALDH1A1
SCHEMBL23567684 0.85 FAAH (0.60) FAAHGLACYP1A2HPGDNAAA
SCHEMBL5650328 0.84 ITGB3 (0.47) FAAHGLA
SCHEMBL8290227 0.81 GLA (0.57) FAAHGLANPC1RAB9AHPGD
SCHEMBL24061668 0.81 GLA (0.47) GLANPC1RAB9AHPGDP2RX7
SCHEMBL8392069 0.81 NPC1 (0.48) GLANPC1RAB9ACYP1A2HPGD
SCHEMBL17660248 0.81 EPHX2 (0.49) GLANPC1RAB9AHPGDMEN1
SCHEMBL8353488 0.79 NPC1 (0.50) GLANPC1RAB9ACYP1A2HPGD

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
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN FAAH 3621/4885GLA 3576/4885NPC1 3990/4885

“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.