SCHEMBL13850004

SCHEMBL13850004

CCC[C@@H](O)Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.45
PPARG P37231 4/20 0.43
PPARA Q07869 3/20 0.43
TAAR1 Q96RJ0 4/20 0.42
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13849934 1.00 SLC1A1 (0.45) SLC1A1PPARGPPARATAAR1PTGER4
SCHEMBL14402470 1.00 SLC1A1 (0.45) SLC1A1PPARGPPARATAAR1PTGER4
SCHEMBL14402789 0.90 SLC1A1 (0.43) SLC1A1PPARGPPARATAAR1PTGER4
SCHEMBL15178111 0.87 SLC1A1 (0.49) SLC1A1PPARGPPARATAAR1IDO1
SCHEMBL10586409 0.87 SLC1A1 (0.49) SLC1A1PPARGPPARATAAR1IDO1
SCHEMBL15178087 0.83 CETP (0.34) SLC1A1TAAR1
SCHEMBL15178072 0.83 CETP (0.34) SLC1A1TAAR1
SCHEMBL14402524 0.83 HTR2A (0.33) TAAR1
SCHEMBL14402448 0.83 HTR2A (0.33) TAAR1
SCHEMBL25482996 0.82 TAAR1 (0.44) SLC1A1PPARGPPARATAAR1IDO1

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
US-11767310-B2 Nicotinamide RIPK1 inhibitors ABBVIE INC. (US) 2023-09-26 US disclosed
US-20230127127-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. 2023-04-27 US disclosed
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20230127127-A1 NICOTINAMIDE RIPK1 INHIBITORS RIPK1, RIPK2, RIPK4 SLC1A1 3811/4885PPARG 2412/4885PPARA 2653/4885
US-11767310-B2 Nicotinamide RIPK1 inhibitors RIPK1, RIPK2, RIPK4 SLC1A1 3811/4885PPARG 2412/4885PPARA 2653/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 SLC1A1 4301/4885PPARG 390/4885PPARA 1443/4885

“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.