SCHEMBL743744

SCHEMBL743744

c1ccc2c(c1)CCC21CCCn2cncc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.36
HTR2A P28223 2/20 0.35
IDO1 P14902 1/20 0.35
SLC18A3 Q16572 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL3617615 0.80 KDM1A (0.41) KDM1A
SCHEMBL1129300 0.79 KDM1A (0.40) CYP3A4KDM1A
SCHEMBL1129017 0.77 SIGMAR1 (0.39) SIGMAR1CYP1A2CYP2C19
SCHEMBL3616103 0.76 CYP19A1 (0.45) HRH1KDM1A
SCHEMBL12060813 0.75 CYP19A1 (0.37)
SCHEMBL1129028 0.75 SIGMAR1 (0.43) SIGMAR1KDM1A
SCHEMBL1129324 0.75 KDM1A (0.46) KDM1A
SCHEMBL3607095 0.74 CYP19A1 (0.35) SIGMAR1IDO1KDM1ASCN1ASCN2A
SCHEMBL1129301 0.69 DRD2 (0.34) SIGMAR1
SCHEMBL666915 0.69 HTR2A (0.55) SIGMAR1HTR2AALDH1A1TP53CYP1A2

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-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 SIGMAR1 611/4885HTR2A 2527/4885IDO1 3539/4885

“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.