SCHEMBL12176376

SCHEMBL12176376

COc1cccc(C2C(C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ RHOA P61586 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL14959024 0.92 HCRTR1 (0.46) NPSR1ALDH1A1RHOATDP1HCRTR1
SCHEMBL24016934 0.92 HCRTR1 (0.46) NPSR1ALDH1A1RHOATDP1HCRTR1
SCHEMBL18532595 0.92 HCRTR1 (0.46) NPSR1ALDH1A1RHOATDP1HCRTR1
SCHEMBL25132815 0.92 HCRTR1 (0.46) NPSR1ALDH1A1RHOATDP1HCRTR1
SCHEMBL18532606 0.90 ALDH1A1 (0.43) NPSR1ALDH1A1UBE2MDCUN1D1LMNA
SCHEMBL18790105 0.90 ALDH1A1 (0.43) NPSR1ALDH1A1UBE2MDCUN1D1LMNA
SCHEMBL12176191 0.90 ALDH1A1 (0.43) NPSR1ALDH1A1UBE2MDCUN1D1LMNA
SCHEMBL12074050 0.90 ALDH1A1 (0.43) NPSR1ALDH1A1UBE2MDCUN1D1LMNA
SCHEMBL24522176 0.88 HSD17B10 (0.45) NPSR1ALDH1A1TDP1UBE2MDCUN1D1
SCHEMBL12176030 0.88 HSD17B10 (0.45) NPSR1ALDH1A1TDP1UBE2MDCUN1D1

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-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US 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 (6 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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885ALDH1A1 2966/4885RHOA 1975/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885ALDH1A1 2966/4885RHOA 1975/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885ALDH1A1 2966/4885RHOA 1975/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885ALDH1A1 2966/4885RHOA 1975/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885ALDH1A1 2966/4885RHOA 1975/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885ALDH1A1 2966/4885RHOA 1975/4885

“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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