SCHEMBL14788176

SCHEMBL14788176

CC(C)N1CCN(C(C)C)[C@@H]2CCCC[C@H]21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.30
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL14788117 1.00 L3MBTL1 (0.34) L3MBTL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL24316273 0.84 L3MBTL1 (0.32) L3MBTL1
SCHEMBL23114364 0.83 HTT (0.34)
SCHEMBL22301691 0.82 L3MBTL1 (0.32) L3MBTL1
SCHEMBL20314971 0.80 PARP1 (0.31) L3MBTL1
SCHEMBL2603338 0.80 SLC18A3 (0.32) L3MBTL1ALDH1A1KDM4ETDP1CYP2D6
SCHEMBL2603332 0.80 SLC18A3 (0.32) L3MBTL1ALDH1A1KDM4ETDP1CYP2D6
SCHEMBL10087580 0.80 SLC18A3 (0.36) L3MBTL1ALDH1A1TDP1CYP2D6MEN1
SCHEMBL2603339 0.80 SLC18A3 (0.32) L3MBTL1ALDH1A1KDM4ETDP1CYP2D6
SCHEMBL13910189 0.80 SLC18A3 (0.32) L3MBTL1ALDH1A1KDM4ETDP1CYP2D6

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 L3MBTL1 2087/4885ALDH1A1 4135/4885GAA 957/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 L3MBTL1 2087/4885ALDH1A1 4135/4885GAA 957/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 L3MBTL1 2087/4885ALDH1A1 4135/4885GAA 957/4885

“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.