SCHEMBL743616

SCHEMBL743616

c1ccc2c(c1)CCC21COCc2cncn21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM1A O60341 2/20 0.32
GRM4 Q14833 2/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
CYP19A1 P11511 1/20 0.30
AVPR1A P37288 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL731872 0.81 CYP19A1 (0.42) KDM1ACYP19A1
SCHEMBL741381 0.74 CYP19A1 (0.48) KDM1ACYP19A1
SCHEMBL38651802 0.65
SCHEMBL18151046 0.63 SLC18A3 (0.33) SIGMAR1
SCHEMBL23385699 0.62 SIGMAR1 (0.44) KDM1AMAOBALDH1A1TP53SIGMAR1
SCHEMBL666915 0.60 HTR2A (0.55) TSHRTDP1KDM1AMAOBALDH1A1
SCHEMBL23945332 0.60 ALDH1A1 (0.37) TSHRMAOBALDH1A1TP53CYP1A2
SCHEMBL17014512 0.59 SIGMAR1 (0.44) ALDH1A1TP53SIGMAR1
Hydrochloric Acid SCHEMBL30593071 0.59 HTR2A (0.53) TSHRTDP1KDM1AMAOBALDH1A1
SCHEMBL31741763 0.59 HTR2A (0.53) TSHRTDP1KDM1AMAOBALDH1A1

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 4 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-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
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 TSHR 513/4885TDP1 3894/4885KDM1A 3697/4885

“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.