SCHEMBL6213955

SCHEMBL6213955

O=C(Nc1cn(-c2ccccc2)cn1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 1/20 0.46
▸ NPY5R Q15761 3/20 0.44
▸ USP30 Q70CQ3 2/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAD51 Q06609 1/20 0.42
▸ GAA P10253 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6215219 0.88 NPY5R (0.46) OTUD7BNPY5RUSP30CCNE1CDK2
SCHEMBL6216418 0.83 NPY5R (0.45) NPY5RCCNE1CDK2CDK5ALDH1A1
SCHEMBL27567730 0.79 HSD17B10 (0.53) OTUD7BNPY5RUSP30ALDH1A1MAPT
SCHEMBL23719175 0.77 NPC1 (0.54) OTUD7BNPY5RUSP30CDK2KMT2A
SCHEMBL5997254 0.75 CDK5 (0.63) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL31286005 0.72 RAB9A (0.59) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL1011540 0.72 RAB9A (0.59) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL7244914 0.71 ALDH1A1 (0.56) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL5378517 0.70 ACVR1 (0.44) OTUD7BNPY5RUSP30WDR5CPB1
SCHEMBL32672110 0.70 ALDH1A1 (0.48) CCNE1CDK2CDK5ALDH1A1MAPT

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 OTUD7B 4471/4885NPY5R 1/4885USP30 4732/4885
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R OTUD7B 4493/4885NPY5R 1/4885USP30 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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