SCHEMBL17834664

SCHEMBL17834664

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C6(C)CC6)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.38
▸ S1PR1 P21453 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ KDM1A O60341 6/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ PYGL P06737 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL17834627 0.93 CCR1 (0.42) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL22384269 0.92 DGAT1 (0.38) CCR1ACE2
SCHEMBL17834462 0.91 CCR1 (0.41) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL17834490 0.90 CCR1 (0.40) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL17834859 0.90 CCR1 (0.40) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL17834864 0.90 CCR1 (0.41) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL17834671 0.89 CCR1 (0.39) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL17834437 0.89 CCR1 (0.41) CCR1S1PR1S1PR5KDM1AS1PR4
SCHEMBL17532293 0.88 ALDH1A1 (0.36) CCR1ACE2CTSLCTSSPYGL
SCHEMBL17834852 0.88 S1PR1 (0.40) CCR1S1PR1S1PR5KDM1AS1PR4

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-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CCR1 1296/4885S1PR1 486/4885S1PR5 889/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CCR1 1296/4885S1PR1 486/4885S1PR5 889/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CCR1 1102/4885S1PR1 523/4885S1PR5 939/4885

“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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