SCHEMBL16839656

SCHEMBL16839656

CCOC(=O)CCNCc1ccc2c(c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HPGD P15428 2/20 0.41
MAPK14 Q16539 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL16839920 0.99 RAB9A (0.46) RAB9ANPC1LTA4HALDH1A1GAA
SCHEMBL23262028 0.80 CYP4Z1 (0.49) ALDH1A1GAAMAPTTDP1CYP4F2
SCHEMBL5940295 0.79 LTA4H (0.50) NPC1LTA4HALDH1A1MAPTCYP4F2
SCHEMBL16839772 0.79 SMN1; SMN2 (0.51) LTA4HALDH1A1MAPTLMNACYP4F2
SCHEMBL16839712 0.78 SMN1; SMN2 (0.62) LTA4HALDH1A1GAAMAPTLMNA
SCHEMBL26240668 0.77 LTA4H (0.49) LTA4HALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL3291605 0.77 POLB (0.51) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL16839775 0.77 HDAC3 (0.54) LTA4HGAAALOX15MEN1KMT2A
SCHEMBL6136444 0.77 LMNA (0.54) LTA4HALDH1A1GAAPOLBLMNA
SCHEMBL6136228 0.77 HDAC3 (0.58) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 RAB9A 3434/4885NPC1 3447/4885LTA4H 1991/4885

“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.