SCHEMBL15088274

SCHEMBL15088274

COc1cc(F)ccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTR1A P08908 3/20 0.39
▸ HTR7 P34969 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GPR6 P46095 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38

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
SCHEMBL15088270 0.91 ALDH1A1 (0.42) NPSR1HTR1AHTR7MEN1KMT2A
SCHEMBL12176097 0.90 PREP (0.43) NPSR1TDP1MEN1KMT2ARXFP1
SCHEMBL12176050 0.90 HSD17B10 (0.44) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL12176054 0.89 RXFP1 (0.41) NPSR1TDP1HTR1AHTR7MEN1
SCHEMBL14959045 0.88 NPSR1 (0.45) NPSR1TDP1HTR1AHTR7MEN1
SCHEMBL13059993 0.88 NPSR1 (0.45) NPSR1TDP1HTR1AHTR7MEN1
SCHEMBL18789914 0.88 NPSR1 (0.45) NPSR1TDP1HTR1AHTR7MEN1
SCHEMBL12176039 0.88 HSD17B10 (0.46) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL14959042 0.88 HSD17B10 (0.46) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL15088232 0.87 NPSR1 (0.46) NPSR1TDP1MEN1KMT2ALMNA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTR1A 249/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTR1A 249/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTR1A 249/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTR1A 249/4885

“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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