SCHEMBL3661239

SCHEMBL3661239

Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](N)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 4/20 0.66
TSHR P16473 3/20 0.65
USP2 O75604 1/20 0.65
KDM4E B2RXH2 2/20 0.64
HCRTR1 O43613 2/20 0.63
HCRTR2 O43614 2/20 0.63
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL4238481 1.00 KMT2A (0.68) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3543233 0.85 KMT2A (0.70) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3543194 0.84 KMT2A (0.65) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3548566 0.84 KDM4E (0.73) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3553134 0.81 SMN1; SMN2 (0.97) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3539489 0.81 KMT2A (1.00) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3553965 0.79 TSHR (1.00) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3546099 0.78 KMT2A (0.79) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL3544581 0.78 KDM4E (1.00) KMT2ASMN1; SMN2HTTLMNATSHR
SCHEMBL13501717 0.78 KDM4E (0.56) KMT2ASMN1; SMN2HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (1 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A KMT2A 889/4885SMN1; SMN2 2577/4885HTT 317/4885

“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.