SCHEMBL3366407

SCHEMBL3366407

N#Cc1ccc2c(c1)COC21CCn2cncc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.37
SLC6A4 P31645 8/20 0.36
KDM1A O60341 1/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA1A P35348 2/20 0.35
HRH1 P35367 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
HTR2B P41595 2/20 0.35
KCNH2 Q12809 2/20 0.35
NPC1 O15118 1/20 0.35
SLC22A1 O15245 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
ACHE P22303 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL3365832 1.00 FASN (0.37) FASNSLC6A4KDM1ASLC6A2HTR2C
SCHEMBL3367425 0.93 FASN (0.38) FASNSLC6A4KDM1ASLC6A2HTR2C
SCHEMBL3366305 0.92 CYP17A1 (0.33) FASNKDM1AHRH1KCNH2CYP2C19
SCHEMBL3465560 0.88 KDM1A (0.39) FASNKDM1AHRH1DRD3KCNH2
SCHEMBL3370381 0.85 CYP19A1 (0.34) FASNKDM1AKCNH2
SCHEMBL742444 0.84 KDM1A (0.39) KDM1AHRH1DRD3KCNH2
SCHEMBL3364453 0.83 CYP17A1 (0.32) SLC6A4CYP2C19
SCHEMBL3368777 0.82 KDM1A (0.37) KDM1AHRH1KCNH2CYP2C19
SCHEMBL3368780 0.82 KDM1A (0.40) FASNKDM1AKCNH2
SCHEMBL741386 0.82 KDM1A (0.46) KDM1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 FASN 604/4885SLC6A4 2695/4885KDM1A 3591/4885

“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.