SCHEMBL20032429

SCHEMBL20032429

CCC(CC)NCc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
MC5R P33032 3/20 0.49
MC4R P32245 2/20 0.49
IDO1 P14902 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
MC3R P41968 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL13952623 0.90 CYP1A2 (0.49) CYP1A2CYP2A6MC5RMC4RIDO1
SCHEMBL4879477 0.85 FFAR1 (0.48) CYP1A2CYP2A6IDO1NR3C1PGR
SCHEMBL4880528 0.85 FFAR1 (0.48) CYP1A2CYP2A6IDO1NR3C1PGR
SCHEMBL4879488 0.85 FFAR1 (0.48) CYP1A2CYP2A6IDO1NR3C1PGR
SCHEMBL4851214 0.83 KMT2A (0.43) CYP1A2CYP2A6IDO1NR3C1PGR
SCHEMBL8852234 0.81 HTR2A (0.55) CYP1A2CYP2A6MC5RMC4RIDO1
SCHEMBL8587392 0.78 MC5R (0.57) CYP1A2CYP2A6MC5RMC4RIDO1
SCHEMBL9063683 0.77 SIGMAR1 (0.55) IDO1ALDH1A1KMT2AL3MBTL1SIGMAR1
SCHEMBL3678774 0.76 SMN1; SMN2 (0.61) CYP1A2CYP2A6MC5RMC4RHTR2A
SCHEMBL3678776 0.76 SMN1; SMN2 (0.61) CYP1A2CYP2A6MC5RMC4RHTR2A

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 7 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
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 (7 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 CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885MC5R 147/4885

“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.