SCHEMBL14959045

SCHEMBL14959045

COc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 1/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ HTR7 P34969 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 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
▸ KMT2A Q03164 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ RHOA P61586 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37

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
SCHEMBL18789914 1.00 NPSR1 (0.45) NPSR1TDP1HTTHTR1AHTR7
SCHEMBL13059993 1.00 NPSR1 (0.45) NPSR1TDP1HTTHTR1AHTR7
SCHEMBL12176608 0.92 NPSR1 (0.41) NPSR1TDP1HTTHTR1AHTR7
SCHEMBL13060067 0.91 RXFP1 (0.43) NPSR1TDP1SMN1; SMN2MEN1TSHR
SCHEMBL13060066 0.91 HTR1A (0.40) NPSR1TDP1HTTHTR1AHTR7
SCHEMBL13060013 0.91 MEN1 (0.42) NPSR1TDP1HTTHTR1AHTR7
SCHEMBL12176080 0.89 HSD17B10 (0.41) NPSR1TDP1MEN1KMT2AUBE2M
SCHEMBL18790219 0.89 HSD17B10 (0.41) NPSR1TDP1MEN1KMT2AUBE2M
SCHEMBL18609471 0.89 HSD17B10 (0.41) NPSR1TDP1MEN1KMT2AUBE2M
SCHEMBL24016867 0.89 RAB9A (0.41) NPSR1TDP1SMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-20170065604-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-03-09 — — 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
EP-2381778-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2016-06-08 — — EP disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20150141425-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2015-05-21 — — US disclosed
US-8906938-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2014-12-09 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — US disclosed
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — 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 (5 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-20150141425-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTT 3069/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTT 3069/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTT 3069/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 138/4885TDP1 4152/4885HTT 3069/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPSR1 142/4885TDP1 4118/4885HTT 3315/4885

“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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