SCHEMBL20032325

SCHEMBL20032325

CCC(CC)c1ccc2c(C)nn(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.50
▸ ADORA2B P29275 4/20 0.50
▸ LSS P48449 2/20 0.38
▸ SLC22A12 Q96S37 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ QPCT Q16769 2/20 0.35
▸ GLS O94925 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KHK P50053 2/20 0.32
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL18713963 0.88 ADORA2A (0.45) ADORA2AADORA2BLSSGRM4QPCT
SCHEMBL18713682 0.87 ADORA2A (0.50) ADORA2AADORA2BLSSSLC22A12GRM4
SCHEMBL15341754 0.81 ADORA2A (0.55) ADORA2AADORA2BLSSSLC22A12GRM4
SCHEMBL24758646 0.79 ADORA2A (0.52) ADORA2AADORA2BLSSSLC22A12GRM4
SCHEMBL24758644 0.79 ADORA2A (0.52) ADORA2AADORA2BLSSSLC22A12GRM4
SCHEMBL19003532 0.76 ADORA2A (0.41) ADORA2AADORA2BLSSGRM4QPCT
SCHEMBL13826298 0.75 ADORA2A (0.55) ADORA2AADORA2BLSSSLC22A12GRM4
SCHEMBL18713619 0.74 KDR (0.34) ADRA2AADRA2BADRA2C
SCHEMBL11804 0.73 ADORA2A (0.63) ADORA2AADORA2BLSSGRM4QPCT
SCHEMBL26373685 0.72 ADORA2A (0.61) ADORA2AADORA2BLSSGRM4QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (6 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 ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885

“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.

Send feedback