SCHEMBL6215219

SCHEMBL6215219

O=C(Nc1cn(-c2cccc(F)c2)cn1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ USP30 Q70CQ3 4/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ OTUD7B Q6GQQ9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38

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
SCHEMBL6213955 0.88 OTUD7B (0.46) NPY5RKMT2AUSP30NPSR1OTUD7B
SCHEMBL6216418 0.80 NPY5R (0.45) NPY5RKMT2ANPC1RAB9ANPSR1
SCHEMBL3984117 0.71 CYP1A2 (0.66) KMT2ANPC1RAB9AFAAHTRPV1
SCHEMBL31434649 0.70 KMT2A (0.55) NPY5RKMT2AUSP30NPC1RAB9A
SCHEMBL5997254 0.70 CDK5 (0.63) RAB9ACCNE1CDK2CDK5ALDH1A1
SCHEMBL2421498 0.70 KCNJ6 (0.64) KMT2AALDH1A1
SCHEMBL14332674 0.69 KMT2A (0.46) KMT2ANPC1RAB9ANPSR1FAAH
SCHEMBL59145 0.69 KMT2A (0.49) KMT2ANPC1RAB9ANPSR1FAAH
SCHEMBL32671808 0.69 KMT2A (0.49) KMT2ANPC1RAB9ANPSR1FAAH
SCHEMBL1011007 0.69 MAPK14 (0.60) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129089-B1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-12-28 — — EP disclosed
US-20040063942-A1 Spiro-indolines as Y5 receptor antagonists MERCK & CO., INC. 2004-04-01 — — US disclosed
US-6638942-B1 Useful in the treatment of obesity and the complications associated therewith. MERCK & CO., INC. 2003-10-28 — — US disclosed
EP-1129089-A4 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-22 — — EP disclosed
US-6495559-B2 FOR THERAPY OF OBESITY MERCK & CO., INC. 2002-12-17 — — US disclosed
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists MSD K.K. (JP) 2002-05-16 — — US disclosed
US-6313298-B1 OBESITY, DIETETICS; NEUROPEPTIDE Y ANTAGONISTS MERCK & CO., INC. 2001-11-06 — — US disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 — — EP disclosed
US-6191160-B1 DIETETICS MERCK & CO., INC. 2001-02-20 — — US disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 — — WO 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-20040063942-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 3737/4885USP30 4732/4885
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 3705/4885USP30 4741/4885

“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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