SCHEMBL20032463

SCHEMBL20032463

CCC(CC)c1ccc2c(c1)OC(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BRAF P15056 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5800497 0.76 MAOB (0.44) MAOBALDH2ALDH3A1KDM4ECYP1A2
SCHEMBL27985679 0.74 MAOB (0.38) MAOBALDH2ALDH3A1
SCHEMBL18707502 0.73 HDAC8 (0.39) HDAC8HDAC6CYP1A2CYP2C19
SCHEMBL5799941 0.73 ALDH2 (0.47) MAOBALDH2ALDH3A1TSHR
SCHEMBL28936963 0.72 CA12 (0.46) MAOBALDH2ALDH3A1KDM4ECYP1A2
SCHEMBL20691770 0.72 MAOB (0.47) MAOBALDH2ALDH3A1HDAC6BRAF
SCHEMBL28718227 0.72 ALDH1A1 (0.38) ALDH2HPGD
SCHEMBL32672896 0.71 MAOB (0.44) MAOBALDH2ALDH3A1BRAFKDM4E
SCHEMBL18982690 0.71 MAOB (0.44) MAOBALDH2ALDH3A1BRAFKDM4E
SCHEMBL26314663 0.70 ALDH1A1 (0.43) MAOBALDH2ALDH3A1HPGD

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 MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MAOB 215/4885ALDH2 1089/4885ALDH3A1 928/4885

“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.