SCHEMBL12160727

SCHEMBL12160727

C[C@H]1[C@@H](C(=O)Nc2ccccc2)CCCN1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NAMPT P43490 2/20 0.49
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HSD11B1 P28845 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ PREP P48147 1/20 0.45
▸ FNTA P49354 1/20 0.45

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
SCHEMBL12160901 1.00 MEN1 (0.50) MEN1MAPK1KMT2ANAMPTMAPT
SCHEMBL486204 0.86 MAPT (0.49) MEN1MAPK1KMT2AMAPTGAA
SCHEMBL12160730 0.84 L3MBTL1 (0.47) MEN1MAPK1KMT2ANAMPTMAPT
SCHEMBL12160900 0.84 L3MBTL1 (0.47) MEN1MAPK1KMT2ANAMPTMAPT
SCHEMBL14959009 0.82 DPP4 (0.44) MEN1MAPK1KMT2ANAMPTMAPT
SCHEMBL31722815 0.81 ALDH1A1 (0.60) MAPK1GAAALDH1A1CYP2C9CYP2C19
SCHEMBL24725070 0.81 NPC1 (0.48) KMT2ANAMPTMAPTGAAALDH1A1
SCHEMBL26878431 0.79 LMNA (0.48) MEN1MAPK1KMT2ANAMPTMAPT
SCHEMBL25083897 0.79 LMNA (0.48) MEN1MAPK1KMT2ANAMPTMAPT
SCHEMBL26899136 0.79 NPC1 (0.46) MEN1KMT2ANAMPTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779576-B2 Method of treating C3 glomerulopathy CHEMOCENTRYX, INC. (US) 2023-10-10 — — US disclosed
US-20180179160-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2018-06-28 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US 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-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — 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-20150141425-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MEN1 2647/4885MAPK1 3645/4885KMT2A 4442/4885
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MEN1 2647/4885MAPK1 3645/4885KMT2A 4442/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 MEN1 2647/4885MAPK1 3645/4885KMT2A 4442/4885
US-20180179160-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 MEN1 2647/4885MAPK1 3645/4885KMT2A 4442/4885
US-11779576-B2 Method of treating C3 glomerulopathy C3AR1, C5, C5AR1 MEN1 1614/4885MAPK1 4758/4885KMT2A 4638/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 MEN1 2647/4885MAPK1 3645/4885KMT2A 4442/4885

“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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