SCHEMBL4185884

SCHEMBL4185884

CN1CCCC1CCNC(=O)Cc1ccc2c(c1)[C@@H](N)[C@H](O)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.42
▸ GLS O94925 1/20 0.40
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ POLR1A O95602 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ KCNA5 P22460 4/20 0.35
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ TERT O14746 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL4185887 1.00 ACKR3 (0.42) ACKR3GLSFPR3FPR2POLR1A
SCHEMBL4192661 0.83 ACKR3 (0.38) ACKR3GLSPOLR1APDE3BPDE3A
SCHEMBL4192654 0.83 ACKR3 (0.38) ACKR3GLSPOLR1APDE3BPDE3A
SCHEMBL4192886 0.83 CYP2D6 (0.47) —
SCHEMBL4192882 0.83 CYP2D6 (0.47) —
SCHEMBL4192631 0.83 ABCB1 (0.39) ACKR3GLSKCNA5
SCHEMBL4187959 0.83 ABCB1 (0.39) ACKR3GLSKCNA5
SCHEMBL4470956 0.79 CA1 (0.47) KCNA5
SCHEMBL4490339 0.75 NPC1 (0.46) KCNA5NPC1RAB9A
SCHEMBL12678195 0.74 KCNA5 (0.39) ACKR3GLSKCNA5

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 ACKR3 463/4885GLS 888/4885FPR3 210/4885
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 ACKR3 611/4885GLS 857/4885FPR3 160/4885

“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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