SCHEMBL20032088

SCHEMBL20032088

CCC(CC)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.40
AKR1C2 P52895 8/20 0.40
AKR1B10 O60218 3/20 0.40
AKR1C4 P17516 3/20 0.40
AKR1C1 Q04828 3/20 0.40
AR P10275 4/20 0.38
CXCR2 P25025 1/20 0.37
SLC6A4 P31645 1/20 0.37
PDE2A O00408 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AKT1 P31749 1/20 0.35
MPL P40238 1/20 0.35

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
SCHEMBL20414528 0.90 AR (0.37) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL16770676 0.87 AKR1C3 (0.36) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL22795566 0.87 NR1I2 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL16770742 0.87 AKR1C3 (0.36) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL19099462 0.85 NR1I2 (0.46) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL19055356 0.84 ALDH1A1 (0.42) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL22298379 0.82 SHBG (0.33) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL15157757 0.82 SLC6A4 (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2397716 0.82 SLC6A4 (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL297430 0.82 SLC6A4 (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
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
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (8 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885

“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.