SCHEMBL17459575

SCHEMBL17459575

CCc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)OC(=O)C2CNC2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC8A1 P32418 1/20 0.32
▸ PSMB11 A5LHX3 1/20 0.32
▸ PSMA7 O14818 1/20 0.32
▸ PSMB1 P20618 1/20 0.32
▸ PSMA1 P25786 1/20 0.32
▸ PSMA2 P25787 1/20 0.32
▸ PSMA3 P25788 1/20 0.32
▸ PSMA4 P25789 1/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ PSMB9 P28065 1/20 0.32
▸ PSMA5 P28066 1/20 0.32

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
SCHEMBL17459559 0.89 KIF11 (0.32) KMT2AMEN1ACACBITGA4ITGB7
SCHEMBL17459554 0.83 KIFC1 (0.37) SLC8A1ACACBHPGDSCTSLCTSC
SCHEMBL17468458 0.82 MAPT (0.42) KMT2AMEN1ALDH1A1
SCHEMBL17459570 0.82 NR1H4 (0.37) RAB9AKMT2AMEN1ACACBALDH1A1
SCHEMBL17459539 0.82 ITGA4 (0.42) NPC1KMT2AITGA4ITGB7ITGB1
SCHEMBL17459538 0.82 ITGA4 (0.42) NPC1KMT2AITGA4ITGB7ITGB1
SCHEMBL22167308 0.81 FPR2 (0.34) SMYD3NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL17468600 0.81 FPR2 (0.34) SMYD3NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL17459576 0.80 PYGL (0.38) SMYD3NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL17459574 0.80 PYGL (0.38) SMYD3NPC1SMN1; SMN2RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 — — EP disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — WO 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SMYD3 4388/4885NPC1 3488/4885SMN1; SMN2 3732/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SMYD3 4388/4885NPC1 3488/4885SMN1; SMN2 3732/4885

“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.

Send feedback