SCHEMBL10322016

SCHEMBL10322016

Cc1cc2c(ccn2C2CCC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR1F P30939 1/20 0.36
▸ CYP11B2 P19099 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TOP2A P11388 4/20 0.34
▸ TOP2B Q02880 4/20 0.34
▸ NOS3 P29474 3/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33

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
SCHEMBL10321426 0.97 SCD (0.37) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL25425392 0.81 HTR1A (0.34) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL24109779 0.80 HTR2A (0.35) SCDTOP2ATOP2BHTR2A
SCHEMBL31437989 0.78 CYP11B1 (0.40) HTR1AHTR1DHTR1BHTR1FCYP11B2
SCHEMBL30292300 0.77 HTR2A (0.43) HTR1AHTR1DHTR1BHTR1FCYP11B2
SCHEMBL30292341 0.77 HTR2A (0.43) HTR1AHTR1DHTR1BHTR1FCYP11B2
SCHEMBL24110283 0.76 SCN9A (0.38) HTR2A
SCHEMBL31437974 0.74 HTR1A (0.35) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL24109769 0.74 HTR2A (0.35) SCDTOP2ATOP2BHTR2A
SCHEMBL24110294 0.74 SCN9A (0.35) HTR2A

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-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 — — US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 — — 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS SCD 1826/4885HTR1A 111/4885HTR1D 347/4885

“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.

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