SCHEMBL5352962

SCHEMBL5352962

c1ccc(-c2ccccc2N2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.69
▸ HTR1A P08908 3/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ HTR5A P47898 1/20 0.69
▸ HTR6 P50406 1/20 0.69
▸ PTGS2 P35354 1/20 0.60
▸ DHFR P00374 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ MGLL Q99685 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL13039956 0.98 HTR7 (0.67) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL27876080 0.98 HTR7 (0.67) HTR7HTR1AHTR2AHTR5AHTR6
Hydrochloric Acid SCHEMBL27892728 0.96 HTR7 (0.65) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL29763758 0.87 HTR7 (0.54) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL28281276 0.84 PTGS2 (0.54) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL7130590 0.83 PTGS2 (0.60) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL3128569 0.82 HTR7 (0.62) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL30022433 0.82 HTR7 (1.00) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL17987100 0.82 HTR1A (0.62) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL15362290 0.82 HTR7 (0.62) HTR7HTR1AHTR2AHTR5AHTR6

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-109678776-B Preparation method of 3-aryl succinimide compound 苏州大学 2020-07-14 — — CN claimed
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 — — WO disclosed
CN-109678776-B Preparation method of 3-aryl succinimide compound 苏州大学 2020-07-14 — — CN disclosed
US-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 — — US disclosed
US-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-12-25 — — US disclosed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 — — US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 — — EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 — — US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 — — EP 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-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts NAT1, AOX1, ALDH7A1 HTR7 2298/4885HTR1A 1426/4885HTR2A 2203/4885

“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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