SCHEMBL12648281

SCHEMBL12648281

CCc1cccc(CC)c1-c1cc2c(C3CCC(C(=O)O)CC3)cn(CC3CCc4ccccc43)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
C5AR1 P21730 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GUCY1A1 Q02108 6/20 0.32
GUCY1B1 Q02153 6/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PPARD Q03181 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
HRH2 P25021 1/20 0.31
RORC P51449 2/20 0.31
PDE10A Q9Y233 1/20 0.31
S1PR5 Q9H228 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
SCHEMBL12593260 0.85 C5AR1 (0.34) C5AR1GUCY1A1GUCY1B1MTNR1AMTNR1B
SCHEMBL1762854 0.77 C5AR1 (0.38) C5AR1PDE10A
SCHEMBL1762630 0.71 HTR1D (0.41)
SCHEMBL5812818 0.66 TYRO3 (0.38)
SCHEMBL1762710 0.65 KCNA3 (0.40) C5AR1
SCHEMBL1763188 0.65 TYRO3 (0.37)
SCHEMBL1762730 0.64 IDO1 (0.36)
SCHEMBL1762627 0.62 C5AR1 (0.44) C5AR1
SCHEMBL1762907 0.62 NPC1 (0.37)
SCHEMBL4582148 0.62 HTR1D (0.41) C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 KDM4C 2425/4885C5AR1 1/4885S1PR1 92/4885

“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.