SCHEMBL22077251

SCHEMBL22077251

CCOC(=O)CCc1cc2cc(OCc3ccc(N4CCCC4)c(C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ S1PR1 P21453 9/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ S1PR4 O95977 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36

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
SCHEMBL22074446 0.90 FFAR1 (0.42) S1PR1S1PR4S1PR5
SCHEMBL24201521 0.87 HRH3 (0.36) S1PR1HRH3ALDH1A1HPGDTSHR
SCHEMBL22074515 0.85 S1PR1 (0.39) S1PR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL22074430 0.84 S1PR1 (0.54) S1PR1S1PR4S1PR5
SCHEMBL22074526 0.83 S1PR1 (0.41) S1PR1S1PR4S1PR5
SCHEMBL22077256 0.83 HRH3 (0.39) S1PR1HRH3S1PR4S1PR5
SCHEMBL22077253 0.80 S1PR1 (0.47) S1PR1S1PR4S1PR5
SCHEMBL22074051 0.79 S1PR1 (0.41) S1PR1S1PR4S1PR5
SCHEMBL22074049 0.79 S1PR1 (0.44) S1PR1S1PR4S1PR5
SCHEMBL22074496 0.77 S1PR1 (0.52) S1PR1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 — — US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 — — EP disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 — — 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 (1 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 TAAR1 412/4885S1PR1 1/4885HRH3 58/4885

“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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