SCHEMBL4176531

SCHEMBL4176531

O=C1NC(=O)C2(N1)C(=O)N(CC1CCCCO1)c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.50
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGA4 P13612 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4179015 0.85 AKR1B1 (0.43) SCN9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4160267 0.85 SCN9A (0.43) SCN9ACYP1A2CYP2C9CYP2C19OPRL1
SCHEMBL4156540 0.83 OPRL1 (0.56) SCN9AOPRL1OPRM1OPRK1ITGA4
SCHEMBL4160240 0.82 OPRL1 (0.51) SCN9ACYP2C9OPRL1OPRM1OPRK1
SCHEMBL4169764 0.81 OPRL1 (0.47) SCN9ACYP2C9OPRL1OPRM1OPRK1
SCHEMBL4254336 0.71 ALDH1A1 (0.51) SCN9ACYP2C9ALDH1A1ITGA4MAPT
SCHEMBL4166938 0.70 ITGA4 (0.49) CYP2C9KDM4EALDH1A1POLBITGA4
SCHEMBL4164003 0.70 ITGA4 (0.45) CYP2C9ALDH1A1POLBTDP1ITGA4
SCHEMBL4261414 0.70 ALDH1A1 (0.53) CYP2C9KDM4ETSHRALDH1A1HPGD
SCHEMBL4253018 0.70 AKR1B1 (0.60) SCN9ACYP2C9ALDH1A1ITGA4MAPT

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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 SCN9A 176/4885CYP1A2 690/4885CYP2C9 560/4885

“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.