SCHEMBL3287091

SCHEMBL3287091

CCCN(CCC)c1nccc2nc(Cl)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
CREBBP Q92793 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13459727 0.75 CRHR1 (0.40) CRHR1SMN1; SMN2
SCHEMBL13199946 0.73 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL2085479 0.69 SMN1; SMN2 (0.34) CRHR1SMN1; SMN2
SCHEMBL5143754 0.68 CRHR1 (0.73) CRHR1
SCHEMBL13459230 0.68 CRHR1 (0.52) CRHR1
SCHEMBL3293146 0.68 UTS2R (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3285073 0.66 CRHR1 (0.42) CRHR1
SCHEMBL13459227 0.64 CRHR1 (0.54) CRHR1
SCHEMBL8489711 0.63 MEN1 (0.50) CRHR1MEN1NPC1AGTR1RAB9A
SCHEMBL2082782 0.61 SMN1; SMN2 (0.44) CRHR1MEN1KMT2AALOX15SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 CRHR1 4/4885MEN1 1568/4885NPC1 2729/4885

“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.