SCHEMBL6216418

SCHEMBL6216418

O=C(Nc1cn(-c2ccccc2F)cn1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 4/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ RAD51 Q06609 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ GFER P55789 1/20 0.36

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 0.83 OTUD7B (0.46) NPY5RNPSR1CCNE1CDK2CDK5
SCHEMBL6215219 0.80 NPY5R (0.46) NPY5RNPC1RAB9ANPSR1CCNE1
SCHEMBL29367242 0.71 KDM4E (0.49) NPY5RPTGS1PTGS2SMN1; SMN2USP2
SCHEMBL20162909 0.71 KDM4E (0.49) NPY5RPTGS1PTGS2SMN1; SMN2USP2
SCHEMBL5997254 0.70 CDK5 (0.63) RAB9ACCNE1CDK2CDK5ALDH1A1
SCHEMBL32671808 0.69 KMT2A (0.49) NPC1RAB9ANPSR1CCNE1CDK2
SCHEMBL59145 0.69 KMT2A (0.49) NPC1RAB9ANPSR1CCNE1CDK2
SCHEMBL15890236 0.69 NPC1 (0.50) NPC1RAB9ANPSR1CCNE1CDK2
SCHEMBL10356846 0.69 RAB9A (0.81) NPC1RAB9ANPSR1FAAHALDH1A1
SCHEMBL1011540 0.68 RAB9A (0.59) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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 1/4885NPC1 3006/4885RAB9A 2552/4885
US-20020058813-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPC1 3050/4885RAB9A 2439/4885

“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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