SCHEMBL20032409

SCHEMBL20032409

CCC(CC)C1=CCN(C(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.42
NOTUM Q6P988 1/20 0.37
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
GRIA1 P42261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
PTAFR P25105 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PIK3CD O00329 1/20 0.33
NAMPT P43490 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
KMT2A Q03164 1/20 0.32
CCNT1 O60563 1/20 0.32

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
SCHEMBL23627165 0.85 QDPR (0.41) QDPRNOTUMEEDRBBP4SUZ12
SCHEMBL104852 0.81 QDPR (0.45) QDPRNOTUMGRIA1LMNAMAPT
SCHEMBL18711417 0.80 SPR (0.46) QDPRNOTUMEEDRBBP4SUZ12
SCHEMBL13900834 0.74 QDPR (0.45) QDPRNOTUMALDH1A1MAPTPTAFR
SCHEMBL8261115 0.71 QDPR (0.49) QDPRNOTUMALDH1A1LMNAMAPT
SCHEMBL8386277 0.71 QDPR (0.53) QDPRNOTUMGRIA1ALDH1A1LMNA
SCHEMBL21535952 0.70 QDPR (0.42) QDPRNOTUMEEDRBBP4SUZ12
SCHEMBL18611164 0.69 QDPR (0.47) QDPRNOTUMALDH1A1LMNAMAPT
SCHEMBL13804073 0.69 QDPR (0.47) QDPRNOTUMPTAFRNAMPT
SCHEMBL26415728 0.69 QDPR (0.47) QDPRNOTUMALDH1A1LMNAMAPT

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 3 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-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 (3 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 QDPR 345/4885NOTUM 3792/4885EED 2618/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A QDPR 345/4885NOTUM 3792/4885EED 2618/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A QDPR 345/4885NOTUM 3792/4885EED 2618/4885

“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.