SCHEMBL16618053

SCHEMBL16618053

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ HCRTR1 O43613 1/20 0.64
▸ MAPT P10636 2/20 0.60
▸ TP53 P04637 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ECE1 P42892 1/20 0.59
▸ NPBWR1 P48145 1/20 0.58
▸ MCHR1 Q99705 1/20 0.58
▸ BRS3 P32247 1/20 0.58
▸ TACR1 P25103 1/20 0.57
▸ IL1RN P18510 1/20 0.56
▸ ERAP2 Q6P179 1/20 0.56
▸ ERAP1 Q9NZ08 1/20 0.56

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
SCHEMBL16618054 1.00 KMT2A (0.64) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL18625066 0.91 IL1RN (0.55) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL16616751 0.90 KMT2A (0.70) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL16616752 0.90 KMT2A (0.70) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL6355051 0.90 TACR1 (0.63) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL29138492 0.90 TACR1 (0.63) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL16626132 0.90 TACR1 (0.63) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL6362124 0.90 TACR1 (0.63) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL21937714 0.89 MAPT (0.61) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL30127739 0.89 MAPT (0.61) KMT2AMEN1HCRTR1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593144-B2 FPR1 antagonist derivatives and use thereof CHANG GUNG UNIVERSITY (TW) 2017-03-14 — — US disclosed
US-9593144-B2 FPR1 antagonist derivatives and use thereof CHANG GUNG UNIVERSITY (TW) 2017-03-14 — — US disclosed
US-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-10-29 — — US disclosed
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-04-09 — — 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 (2 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-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 KMT2A 4039/4885MEN1 1728/4885HCRTR1 91/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 KMT2A 4039/4885MEN1 1728/4885HCRTR1 91/4885

“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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