SCHEMBL20032426

SCHEMBL20032426

CCC(CC)c1ccc(-c2ccc3c(c2)CCC(=O)N3C)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 0.54
CYP11B2 P19099 18/20 0.54
CYP1A2 P05177 3/20 0.54
CYP17A1 P05093 1/20 0.54
CYP19A1 P11511 1/20 0.54
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL18713931 0.89 CYP11B2 (0.46) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL18713956 0.88 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL18500500 0.81 BMPR1B (0.45) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL16574003 0.80 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL4892413 0.76 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL14779776 0.76 CYP11B1 (0.60) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL18500485 0.76 LMNA (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8738297 0.75 CYP11B2 (0.49) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL3312583 0.72 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL18500394 0.72 BMPR1B (0.37) CYP11B1CYP11B2CYP1A2CYP19A1BMPR1B

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 CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP11B1 54/4885CYP11B2 105/4885CYP1A2 137/4885

“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.