SCHEMBL16699795

SCHEMBL16699795

CC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)nnn1C)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 1.00
LPAR3 Q9UBY5 14/20 1.00
HRH1 P35367 1/20 0.56
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
ABCB4 P21439 1/20 0.49
ABCC2 Q92887 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL16700368 1.00 LPAR1 (1.00) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL16699793 1.00 LPAR1 (1.00) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL16700972 0.93 LPAR1 (0.87) LPAR1LPAR3HRH1
SCHEMBL16706499 0.89 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL12989001 0.88 LPAR1 (1.00) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL13195387 0.88 LPAR1 (1.00) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL17077058 0.86 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL17077057 0.86 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL16700545 0.85 LPAR1 (0.74) LPAR1LPAR3
SCHEMBL16697519 0.85 LPAR1 (1.00) LPAR1LPAR3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US claimed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 US claimed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 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-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885HRH1 1003/4885

“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.