SCHEMBL7606049

SCHEMBL7606049

O=CN(c1cccnc1)c1c(OCC2CC2)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TBXA2R P21731 3/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
TBXAS1 P24557 2/20 0.35
MCL1 Q07820 1/20 0.35
HRH1 P35367 2/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL7606176 0.87 HDAC6 (0.44) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7606062 0.86 HDAC6 (0.45) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7608926 0.86 LMNA (0.43) LMNATSHRCRHBPCRHR2SMN1; SMN2
SCHEMBL7612615 0.81 MAPT (0.41) LMNACRHBPCRHR2NPSR1CYP2D6
SCHEMBL7611332 0.78 HDAC6 (0.44) TSHRSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7613735 0.78 HDAC6 (0.44)
SCHEMBL7608458 0.78 HDAC1 (0.40) TSHRSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7613468 0.77 HDAC6 (0.42) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7551884 0.76 HDAC6 (0.44) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL7555714 0.75 HDAC6 (0.45) LMNASMN1; SMN2MEN1KMT2A

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-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US claimed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 US claimed
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US disclosed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 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-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment PDE3A, PDE3B, PDE4A PTGIR 51/4885LMNA 2374/4885TSHR 3295/4885

“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.