SCHEMBL22319890

SCHEMBL22319890

C#CCCc1cccc2c1CCN(C(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 4/20 0.41
▸ NOTUM Q6P988 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ ABHD6 Q9BV23 4/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ TSHR P16473 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
SCHEMBL28245902 0.83 S1PR5 (0.51) S1PR5NOTUMABHD6TAAR1MEN1
SCHEMBL30428784 0.83 ESR2 (0.46) ABHD6MAPT
SCHEMBL22366371 0.83 ESR2 (0.46) ABHD6MAPT
SCHEMBL22319819 0.82 S1PR5 (0.47) S1PR5NOTUMRAB9AABHD6TAAR1
SCHEMBL18584701 0.81 ABHD6 (0.43) S1PR5NOTUMRAB9AABHD6TAAR1
SCHEMBL28901639 0.80 ABHD6 (0.41) S1PR5NOTUMRAB9AABHD6TAAR1
SCHEMBL16268894 0.80 S1PR5 (0.40) S1PR5NOTUMRAB9AABHD6TAAR1
SCHEMBL22366387 0.78 S1PR5 (0.42) S1PR5NOTUMRAB9AABHD6TAAR1
SCHEMBL5777006 0.74 SMN1; SMN2 (0.44) NOTUMABHD6TAAR1MEN1KMT2A
SCHEMBL6279147 0.73 ALDH1A1 (0.44) S1PR5RAB9AABHD6TAAR1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 — — US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 — — EP disclosed
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 — — CN disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 — — EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 — — US disclosed
CN-111511750-A Novel macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2020-08-07 — — CN 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX S1PR5 1786/4885NOTUM 2081/4885RAB9A 1230/4885
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 S1PR5 1954/4885NOTUM 1379/4885RAB9A 1298/4885

“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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