SCHEMBL18280718

SCHEMBL18280718

C[C@H]1CCCC[C@H]1n1ccc2c(C(F)(F)F)cc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ TAS1R2 Q8TE23 2/20 0.38
▸ AR P10275 7/20 0.34
▸ PGR P06401 2/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ RBP4 P02753 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL18280725 0.72 KDM4E (0.35) TAS1R3TAS1R1TAS1R2TDP1
SCHEMBL15520839 0.71 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL9178126 0.70 HSD11B1 (0.40) ARKIF11
SCHEMBL18280716 0.69 HCAR1 (0.32) —
SCHEMBL18280719 0.69 HCAR1 (0.32) —
SCHEMBL18280723 0.67 TSHR (0.42) TAS1R3TAS1R1
SCHEMBL18280722 0.66 KDM4E (0.32) ARTDP1
SCHEMBL23148054 0.60 ALDH1A1 (0.45) GAATDP1
SCHEMBL29813109 0.60 ALDH1A1 (0.45) GAATDP1
SCHEMBL15933661 0.59 CES2 (0.41) ARKIF11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 — — 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-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 TAS1R3 1921/4885TAS1R1 2541/4885TAS1R2 2511/4885

“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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