SCHEMBL13060069

SCHEMBL13060069

COc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(N(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ HTR1A P08908 3/20 0.36
▸ HTR7 P34969 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ RHOA P61586 1/20 0.35
▸ TAS1R3 Q7RTX0 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
SCHEMBL18609270 1.00 HTT (0.39) HTTHCRTR1HCRTR2HTR1AHTR7
SCHEMBL12175994 1.00 HTT (0.39) HTTHCRTR1HCRTR2HTR1AHTR7
SCHEMBL14959049 1.00 HTT (0.39) HTTHCRTR1HCRTR2HTR1AHTR7
SCHEMBL13060072 0.93 ALDH1A1 (0.38) HCRTR1HCRTR2MAPK1LMNATSHR
SCHEMBL12176608 0.92 NPSR1 (0.41) HTTHCRTR1HCRTR2HTR1AHTR7
SCHEMBL13060066 0.91 HTR1A (0.40) HTTHCRTR1HCRTR2HTR1AHTR7
SCHEMBL12176193 0.89 EPHX2 (0.37) MAPTLMNAALDH1A1UBE2MDCUN1D1
SCHEMBL12176020 0.89 HSD17B10 (0.36) MEN1KMT2ANPSR1ALDH1A1UBE2M
SCHEMBL14959062 0.89 HSD17B10 (0.36) MEN1KMT2ANPSR1ALDH1A1UBE2M
SCHEMBL24016934 0.86 HCRTR1 (0.46) HTTHCRTR1HCRTR2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 — — EP disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — 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-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 HTT 3069/4885HCRTR1 154/4885HCRTR2 238/4885

“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.

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