SCHEMBL20032320

SCHEMBL20032320

CCC(CC)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.58
PDE3B Q13370 4/20 0.51
PDE3A Q14432 4/20 0.51
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
CYP1A2 P05177 3/20 0.51
TBXAS1 P24557 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
MMP12 P39900 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 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
SCHEMBL18500396 0.88 TBXAS1 (0.54) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL18713758 0.88 KIF11 (0.57) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4899671 0.84 KIF11 (0.62) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL18500453 0.80 MAPT (0.49) KIF11PDE3BPDE3ATBXAS1MAPT
SCHEMBL18500484 0.80 CA9 (0.53) PDE3BPDE3ATBXAS1NPC1MAPK13
SCHEMBL14865934 0.79 KIF11 (0.68) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL12995265 0.78 KIF11 (0.50) KIF11PDE3BPDE3ATBXAS1MAPT
SCHEMBL3306566 0.77 KIF11 (0.69) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL10464330 0.77 KCNH2 (0.50) KIF11PDE3BPDE3ATBXAS1NPC1
SCHEMBL9130044 0.77 TBXAS1 (0.47) KIF11PDE3BPDE3ATBXAS1MAPT

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-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-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 (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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KIF11 4683/4885PDE3B 3195/4885PDE3A 3068/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KIF11 4683/4885PDE3B 3195/4885PDE3A 3068/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KIF11 4683/4885PDE3B 3195/4885PDE3A 3068/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KIF11 4683/4885PDE3B 3195/4885PDE3A 3068/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KIF11 4683/4885PDE3B 3195/4885PDE3A 3068/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KIF11 4683/4885PDE3B 3195/4885PDE3A 3068/4885

“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.