SCHEMBL20032367

SCHEMBL20032367

CCOc1ccc(C(CC)CC)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ACACB O00763 8/20 0.43
FFAR1 O14842 1/20 0.40
CHRNA7 P36544 1/20 0.39
CYP19A1 P11511 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 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
SCHEMBL19987471 0.90 MAPT (0.42) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL19965687 0.85 NNMT (0.41) MAPT
SCHEMBL19464667 0.83 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL10141610 0.82 MAPT (0.49) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL20642387 0.80 DAO (0.38) ACACBFFAR1ADRA2AADRA2BADRA2C
SCHEMBL12392142 0.79 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL14480391 0.79 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL17000189 0.79 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL13266582 0.79 KDM4E (0.42) PIK3CDPIK3CB
Hydrochloric Acid SCHEMBL14480263 0.78 MAPT (0.45) MAPTACACBFFAR1CHRNA7CYP19A1

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 4 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
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 (4 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 MAPT 4256/4885ACACB 1568/4885FFAR1 719/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAPT 4256/4885ACACB 1568/4885FFAR1 719/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAPT 4256/4885ACACB 1568/4885FFAR1 719/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAPT 4256/4885ACACB 1568/4885FFAR1 719/4885

“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.