SCHEMBL2577808

SCHEMBL2577808

O=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ CYP2C19 P33261 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ FLT3 P36888 1/20 0.56
▸ BLM P54132 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52

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
SCHEMBL23301380 0.93 KMT2A (0.59) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL13149480 0.91 CYP2D6 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.90 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.90 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.90 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.90 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL95957 0.90 KMT2A (0.57) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL23301111 0.89 MGLL (0.56) KMT2AMEN1NPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.89 MEN1 (0.73) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.89 MEN1 (0.73) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 — — EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 — — US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 — — US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 — — EP disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 — — CN disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 — — 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 (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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 KMT2A 4021/4885MEN1 4015/4885NPSR1 187/4885
US-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 KMT2A 489/4885MEN1 1824/4885NPSR1 3059/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KMT2A 489/4885MEN1 1824/4885NPSR1 3059/4885

“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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