SCHEMBL2913656

SCHEMBL2913656

CC(Oc1ccc2c(n1)CCN(Cc1ccccc1)C2)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
DHFR P00374 1/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
C5AR1 P21730 1/20 0.44
FFAR1 O14842 1/20 0.43
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3057524 0.91 MEN1 (0.54) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL4766452 0.82 MEN1 (0.57) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2883235 0.82 PTGER2 (0.38) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL3389288 0.81 HRH3 (0.55) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2907874 0.79 KMT2A (0.54) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2907270 0.77 KMT2A (0.57) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL12706737 0.76 MEN1 (0.61) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2907160 0.75 KMT2A (0.57) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2910881 0.74 KMT2A (0.54) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL29883119 0.74 KMT2A (0.63) MEN1KMT2ANPC1RAB9ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C MEN1 4418/4885KMT2A 3157/4885NPC1 4503/4885

“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.