SCHEMBL21164449

SCHEMBL21164449

CCC(CC)c1ccc(=O)n(C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ BRD4 O60885 5/20 0.36
▸ HSD11B1 P28845 4/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CREBBP Q92793 6/20 0.35
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ DYRK1A Q13627 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
SCHEMBL21099411 0.86 NR1I2 (0.43) HDAC8HDAC6BRD4HSD11B1IDH1
SCHEMBL21164607 0.85 HSD11B1 (0.45) BRD4HSD11B1CREBBPCYP2C19CYP2C9
SCHEMBL22479536 0.82 HDAC4 (0.39) HDAC8BRD4HSD11B1CREBBP
SCHEMBL23718902 0.79 CREBBP (0.35) BRD4HSD11B1CREBBPCYP2C19CYP2C9
SCHEMBL22862951 0.79 CREBBP (0.34) BRD4IDH1CREBBPESR1ESR2
SCHEMBL2625533 0.77 MEN1 (0.41) BRD4CREBBPCYP2C9
SCHEMBL20032328 0.77 HSD11B1 (0.42) BRD4HSD11B1CREBBPCYP2C19CYP2C9
SCHEMBL19557965 0.76 CREBBP (0.39) BRD4HSD11B1CREBBP
SCHEMBL18766783 0.75 CREBBP (0.40) BRD4IDH1CREBBPDYRK1A
SCHEMBL27265196 0.75 CREBBP (0.40) BRD4IDH1CREBBPCYP2C19DYRK1A

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-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 — — 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

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 HDAC8 1335/4885HDAC6 2031/4885BRD4 2241/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HDAC8 1335/4885HDAC6 2031/4885BRD4 2241/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HDAC8 1335/4885HDAC6 2031/4885BRD4 2241/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HDAC8 1335/4885HDAC6 2031/4885BRD4 2241/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HDAC8 1335/4885HDAC6 2031/4885BRD4 2241/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HDAC8 1335/4885HDAC6 2031/4885BRD4 2241/4885

“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.

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