SCHEMBL13579549

SCHEMBL13579549

Cn1ncc2cnc3c(ccn3S(C)(=O)=O)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ PIK3C3 Q8NEB9 5/20 0.34
▸ NAMPT P43490 1/20 0.31
▸ ATR Q13535 3/20 0.31
▸ ATRIP Q8WXE1 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ NR3C1 P04150 1/20 0.30

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
SCHEMBL1536826 0.82 L3MBTL1 (0.50) HTR6ALDH1A1
SCHEMBL13579554 0.72 — —
SCHEMBL19145739 0.68 RAPGEF4 (0.43) HTR6PIK3C3OPRM1OPRL1
SCHEMBL12032364 0.68 HTR6 (0.35) HTR6DRD2PIK3C3NR3C1
SCHEMBL12032358 0.66 HTR6 (0.33) HTR6PIK3C3
SCHEMBL12032360 0.66 HTR6 (0.33) HTR6PIK3C3
SCHEMBL12032356 0.65 HTR6 (0.35) HTR6DRD2PIK3C3ATRATRIP
SCHEMBL17711599 0.65 SLC22A12 (0.43) HTR6DRD2PIK3C3ATRATRIP
SCHEMBL17160481 0.65 HTR6 (0.41) HTR6DRD2PIK3C3ATRATRIP
SCHEMBL20388883 0.65 OPRM1 (0.39) HTR6DRD2PIK3C3ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 — — US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 — — US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 — — US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 — — US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 — — 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 (3 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-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885DRD2 1941/4885PIK3C3 729/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885DRD2 1941/4885PIK3C3 729/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885DRD2 1941/4885PIK3C3 729/4885

“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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