SCHEMBL20032281

SCHEMBL20032281

CCC(CC)c1ccc2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ALDH1A1 P00352 5/20 0.53
OGA O60502 3/20 0.49
MEN1 O00255 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NR4A2 P43354 1/20 0.49
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL21164289 0.87 ALDH1A1 (0.47) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20032264 0.86 ALDH1A1 (0.53) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12386875 0.85 ALDH1A1 (0.51) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6853770 0.83 ALDH1A1 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24869977 0.83 CYP3A4 (0.55) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL903412 0.80 ALDH1A1 (0.58) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20032357 0.78 OGA (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL18713725 0.78 NPC1 (0.64) CYP3A4ALDH1A1MEN1CASP1KMT2A
SCHEMBL17541523 0.77 ALDH1A1 (0.55) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30644683 0.77 UGT2B7 (0.56) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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-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 (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 CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP3A4 234/4885CYP2D6 50/4885SLC6A2 109/4885

“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.