SCHEMBL20032388

SCHEMBL20032388

CCC(CC)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.53
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
MAPT P10636 1/20 0.39

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
SCHEMBL20372748 0.89 PDE2A (0.47) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL25749775 0.85 PDE2A (0.50) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL29110961 0.84 FFAR1 (0.46) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL19506288 0.84 NR1I2 (0.51) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL12318715 0.82 PDE2A (0.56) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL14233628 0.82 PDE2A (0.56) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL20746964 0.82 PDE2A (0.47) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL9209206 0.81 PDE2A (0.50) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL1729820 0.81 PDE2A (0.50) PDE2ANOS3NOS1NOS2ALDH1A1
SCHEMBL4533986 0.81 PDE2A (0.50) PDE2ANOS3NOS1NOS2ALDH1A1

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 10 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
EP-3265083-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2022-07-06 EP 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-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-29 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 (9 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 PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 PDE2A 1470/4885NOS3 3212/4885NOS1 3872/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PDE2A 3073/4885NOS3 2455/4885NOS1 1165/4885

“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.