SCHEMBL4193354

SCHEMBL4193354

CCCCCCCCCCCCCCC(C(=O)NCCN1CCCCC1)c1ccc2c(c1)C(N)C(O)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CCR2 P41597 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ UGCG Q16739 5/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL4192882 0.76 CYP2D6 (0.47) KDM4EHPGDALDH1A1CASP1CASP7
SCHEMBL4192886 0.76 CYP2D6 (0.47) KDM4EHPGDALDH1A1CASP1CASP7
SCHEMBL4189528 0.65 CYP2D6 (0.43) KDM4EHPGDALDH1A1CASP1CASP7
SCHEMBL4189523 0.65 CYP2D6 (0.43) KDM4EHPGDALDH1A1CASP1CASP7
SCHEMBL9581474 0.64 ABCB1 (0.37) KDM4EALDH1A1
SCHEMBL4492537 0.62 KCNE1 (0.33) CYP1A2CYP3A4CYP2D6
Palmitic Acid SCHEMBL11482483 0.61 RAB9A (0.72) UGCGRAB9ATP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11484449 0.60 RAB9A (0.71) RAB9ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL7474229 0.60 KCNA5 (0.41) CYP1A2CYP3A4CYP2D6
SCHEMBL7474225 0.60 KCNA5 (0.41) CYP1A2CYP3A4CYP2D6

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-8273905-B2 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives ABBOTT PRODUCTS GMBH (DE) 2012-09-25 — — US disclosed
US-20090203686-A1 Aminoalkyl-Amidomethyl-Substituted 2-(4-Sulphonylamino)- 3-Hydroxy-3,4-Dihydro-2H-Chroman-6-yl Derivatives SOLVAY PHARMACEUTICALS GMBH (DE) 2009-08-13 — — US disclosed
US-20060252821-A1 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives SOLVAY PHARMACEUTICALS GMBH 2006-11-09 — — 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 (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-20060252821-A1 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9, ABCC9 KDM4E 814/4885HPGD 2557/4885ALDH1A1 737/4885
US-20090203686-A1 Aminoalkyl-Amidomethyl-Substituted 2-(4-Sulphonylamino)- 3-Hydroxy-3,4-Dihydro-2H-Chroman-6-yl Derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9, ARG1 KDM4E 920/4885HPGD 2277/4885ALDH1A1 681/4885

“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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