SCHEMBL2583648

SCHEMBL2583648

CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2C)[C@H]1c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
TP53 P04637 1/20 0.44
CCR6 P51684 1/20 0.43
TSHR P16473 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD2 P14416 1/20 0.40
NR1D1 P20393 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
HTT P42858 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 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
SCHEMBL2564896 1.00 CNR2 (0.46) CNR2TP53CCR6TSHRKDM4E
SCHEMBL20426003 1.00 CNR2 (0.46) CNR2TP53CCR6TSHRKDM4E
SCHEMBL18532593 1.00 CNR2 (0.46) CNR2TP53CCR6TSHRKDM4E
SCHEMBL30495338 0.85 CNR2 (0.43) CNR2TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL18790107 0.85 CNR2 (0.43) CNR2TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2586547 0.85 CNR2 (0.43) CNR2TP53CCR6TSHRKDM4E
SCHEMBL9998804 0.85 CNR2 (0.43) CNR2TP53CCR6TSHRKDM4E
SCHEMBL16727612 0.85 CNR2 (0.43) CNR2TP53CCR6TSHRKDM4E
SCHEMBL18532605 0.85 CNR2 (0.43) CNR2TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2582573 0.85 CNR2 (0.43) CNR2TSHRKDM4EALDH1A1SMN1; SMN2

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed
US-10660897-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2020-05-26 US disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 EP disclosed
US-10035768-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2018-07-31 US disclosed
US-10035768-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2018-07-31 US disclosed
US-20180179160-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2018-06-28 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
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 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
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 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 (8 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-20100160320-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-10660897-B2 C5aR antagonists C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-20180179160-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-10035768-B2 C5aR antagonists C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885TP53 3390/4885CCR6 118/4885

“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.