SCHEMBL14710263

SCHEMBL14710263

Bc1ccc(-c2ccc(C3(C(=O)OC)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
HSD11B1 P28845 1/20 0.38
LPAR1 Q92633 3/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA3 P22001 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
P2RY1 P47900 1/20 0.35
OPRM1 P35372 1/20 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
SCHEMBL14710297 0.95 HSD11B1 (0.40) HRH3HSD11B1ALDH1A1SMN1; SMN2KCNA3
SCHEMBL1678709 0.85 HRH3 (0.46) HRH3HSD11B1LPAR1
SCHEMBL16477203 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL14712065 0.83 HRH3 (0.45) HRH3HSD11B1LPAR1ALDH1A1SMN1; SMN2
SCHEMBL14711330 0.82 HRH3 (0.44) HRH3HSD11B1LPAR1ALDH1A1SMN1; SMN2
SCHEMBL14710596 0.80 OPRM1 (0.42) HRH3HSD11B1ALDH1A1SMN1; SMN2DRD2
SCHEMBL844453 0.79 OPRM1 (0.53) HRH3HSD11B1ALDH1A1SMN1; SMN2OPRM1
SCHEMBL1464894 0.79 CA12 (0.44) HRH3HSD11B1ALDH1A1SMN1; SMN2KCNA3
SCHEMBL14712079 0.78 HRH3 (0.49) HRH3ALDH1A1
SCHEMBL5641709 0.77 OPRM1 (0.52) HRH3HSD11B1ALDH1A1SMN1; SMN2KCNA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019041340-A1 LYSOPHOSPHATIDIC ACID RECEPTOR 1 (LPAR1) INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2019-03-07 WO disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 HRH3 140/4885HSD11B1 2652/4885LPAR1 1/4885

“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.