SCHEMBL15918973

SCHEMBL15918973

CN1CCN(C)[C@@H]2CCCC[C@H]21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16310309 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EHSD17B10GAA
SCHEMBL15918974 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EHSD17B10GAA
SCHEMBL3436941 0.90 ALDH1A1 (0.46) ALDH1A1L3MBTL1CHRM2CYP2D6MEN1
SCHEMBL17888212 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1CHRM2L3MBTL3
SCHEMBL16063087 0.88 CYP1A2 (0.46) ALDH1A1L3MBTL1GAAPKMTDP1
SCHEMBL16063078 0.88 CYP1A2 (0.46) ALDH1A1L3MBTL1GAAPKMTDP1
SCHEMBL2274269 0.87 CHRM2 (0.45) ALDH1A1L3MBTL1CHRM2L3MBTL3
SCHEMBL20384062 0.87 CHRM2 (0.45) ALDH1A1L3MBTL1CHRM2L3MBTL3
SCHEMBL22308806 0.84 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHSD17B10GAA
SCHEMBL20939371 0.81 CHRM2 (0.47) ALDH1A1L3MBTL1CHRM2L3MBTL3

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 ALDH1A1 4135/4885L3MBTL1 2087/4885KDM4E 4418/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885L3MBTL1 2087/4885KDM4E 4418/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885L3MBTL1 2087/4885KDM4E 4418/4885

“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.