SCHEMBL3186155

SCHEMBL3186155

COc1cc2c(cc1S(N)(=O)=O)CCCN(Cc1ccccc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
DRD3 P35462 4/20 0.44
DRD4 P21917 3/20 0.44
HTR1A P08908 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
P2RX3 P56373 1/20 0.43
DRD2 P14416 3/20 0.42
ROCK2 O75116 1/20 0.41
PKM P14618 2/20 0.41
TNIK Q9UKE5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
RCE1 Q9Y256 1/20 0.39
DRD1 P21728 2/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL3153291 0.94 GRM5 (0.52) GRM5ALDH1A1MAPTP2RX3PKM
SCHEMBL3055589 0.88 CA2 (0.44) DRD3DRD4HTR1AP2RX3KDM4E
SCHEMBL3061473 0.85 ACHE (0.50) GRM5DRD3DRD4HTR1ADRD2
SCHEMBL3055755 0.81 P2RX3 (0.47) P2RX3ROCK2TNIK
SCHEMBL3041941 0.81 CHRNA7 (0.53) GRM5DRD3DRD4HTR1AALDH1A1
SCHEMBL3052238 0.81 CA9 (0.47) P2RX3KDM4E
SCHEMBL28641201 0.80 GRM5 (0.58) GRM5DRD3DRD4DRD2ROCK2
SCHEMBL30604579 0.80 GRM5 (0.58) GRM5DRD3DRD4DRD2ROCK2
SCHEMBL31134765 0.80 GRM5 (0.60) GRM5DRD4KDM4EGLARCE1
SCHEMBL3174226 0.79 REV1 (0.53) ALDH1A1MAPTKDM4E

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC GRM5 690/4885DRD3 3408/4885DRD4 1675/4885

“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.