SCHEMBL24201521

SCHEMBL24201521

CCOC(=O)CCc1cc2cc(OCc3cnc(N4CCCC4)c(C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ MAOB P27338 4/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL22077251 0.87 TAAR1 (0.41) HRH3S1PR1ALDH1A1HPGDTSHR
SCHEMBL22074051 0.84 S1PR1 (0.41) MAOBS1PR1PDE3BPDE3AP2RY12
SCHEMBL22074515 0.80 S1PR1 (0.39) MAOBS1PR1ALDH1A1HPGDHSD17B10
SCHEMBL22074430 0.79 S1PR1 (0.54) S1PR1
SCHEMBL22074526 0.79 S1PR1 (0.41) S1PR1
SCHEMBL22074446 0.77 FFAR1 (0.42) S1PR1
SCHEMBL1942995 0.76 S1PR1 (0.59) S1PR1
SCHEMBL22077253 0.76 S1PR1 (0.47) S1PR1
SCHEMBL9532326 0.76 ALDH1A1 (0.58) MAOBALDH1A1HPGDHSD17B10MEN1
SCHEMBL22074049 0.75 S1PR1 (0.44) S1PR1

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 1 patent. 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

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 HRH3 58/4885DGAT2 2638/4885MAOB 2164/4885

“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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