SCHEMBL22276693

SCHEMBL22276693

CCCC(CC)c1ccccc1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 8/20 0.43
▸ GAA P10253 2/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ KCNQ3 O43525 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ KCNQ4 P56696 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ RAF1 P04049 1/20 0.36

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
SCHEMBL18713588 0.90 GAA (0.47) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL28309576 0.83 MEN1 (0.45) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL3729747 0.83 KCNQ2 (0.44) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL7889064 0.83 KCNQ2 (0.47) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL4956719 0.83 KCNQ2 (0.44) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL2339105 0.81 KEAP1 (0.46) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL7897470 0.81 KEAP1 (0.46) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL5792889 0.81 KEAP1 (0.46) KCNQ2GAAKEAP1MAPK1KCNQ3
Hydrochloric Acid SCHEMBL10638555 0.80 KEAP1 (0.45) KCNQ2GAAKEAP1MAPK1KCNQ3
SCHEMBL7896588 0.79 KCNQ2 (0.44) KCNQ2GAAKEAP1MAPK1KCNQ3

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-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 — — US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 — — 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 (2 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNQ2 3048/4885GAA 3244/4885KEAP1 508/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KCNQ2 3048/4885GAA 3244/4885KEAP1 508/4885

“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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