SCHEMBL3367425

SCHEMBL3367425

N#Cc1ccc2c(c1)COC21CCCn2cncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.38
KDM1A O60341 1/20 0.37
SLC6A4 P31645 6/20 0.35
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 1/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2C P28335 2/20 0.34
ADRA1A P35348 2/20 0.34
HRH1 P35367 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
HTR2B P41595 2/20 0.34
KCNH2 Q12809 2/20 0.34
NPC1 O15118 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL3366407 0.93 FASN (0.37) FASNKDM1ASLC6A4SLC6A2HTR2C
SCHEMBL3365832 0.93 FASN (0.37) FASNKDM1ASLC6A4SLC6A2HTR2C
SCHEMBL3370381 0.92 CYP19A1 (0.34) FASNKDM1ACYP11B2CYP19A1KCNH2
SCHEMBL3368780 0.89 KDM1A (0.40) FASNKDM1ACYP11B2CYP19A1KCNH2
SCHEMBL3366305 0.85 CYP17A1 (0.33) FASNKDM1ACYP11B2CYP19A1HRH1
SCHEMBL741386 0.84 KDM1A (0.46) KDM1ACYP11B2CYP19A1CYP3A4
SCHEMBL3396999 0.83 CYP19A1 (0.37) KDM1ACYP11B2CYP19A1HRH1KCNH2
SCHEMBL742444 0.82 KDM1A (0.39) KDM1ACYP11B2CYP19A1HRH1DRD3
SCHEMBL3465560 0.82 KDM1A (0.39) FASNKDM1ACYP11B2CYP19A1HRH1
SCHEMBL3368899 0.80 CYP11B1 (0.32) CYP11B2ALDH1A1

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
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

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 604/4885KDM1A 3591/4885SLC6A4 2695/4885

“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.