SCHEMBL3555689

SCHEMBL3555689

CN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
OPRD1 P41143 4/20 0.48
OPRK1 P41145 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
OPRM1 P35372 5/20 0.46
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2471572 0.84 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL14085903 0.84 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2467789 0.83 KMT2A (0.58) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL4631071 0.82 MEN1 (0.49) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL16639868 0.81 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2330941 0.81 MEN1 (0.56) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL3901930 0.81 OPRD1 (0.56) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2469663 0.81 NPC1 (0.52) KMT2AOPRD1OPRK1NPC1OPRM1
SCHEMBL17187989 0.78 KMT2A (0.52) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL6161497 0.78 TSHR (0.51) MEN1KMT2ANPSR1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 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 (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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 MEN1 1845/4885KMT2A 3265/4885NPSR1 37/4885

“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.