SCHEMBL18713639

SCHEMBL18713639

CCC(CC)c1ccc(Cl)cc1-c1ccc(C)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.36
MAP4K4 O95819 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 2/20 0.34
CRHR1 P34998 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
IDO1 P14902 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL20032375 0.92 TRPV1 (0.36) TRPV1PTGS2PTGS1MAP4K4LMNA
SCHEMBL18713796 0.89 KCNH2 (0.36) MAP4K4LMNAKCNH2CRHR1ALDH1A1
SCHEMBL18713672 0.88 PTGS2 (0.37) PTGS2PTGS1MAP4K4LMNATP53
SCHEMBL18713785 0.85 CYP17A1 (0.40) PTGS2PTGS1MAP4K4KCNH2ALDH1A1
SCHEMBL20032499 0.85 PTGS2 (0.41) PTGS2PTGS1KCNH2SLC1A3SLC1A2
SCHEMBL20032503 0.84 GCG (0.39) TRPV1LMNATP53HTTKCNH2
SCHEMBL18713671 0.84 KCNH2 (0.39) PTGS2PTGS1KCNH2HTR2ASLC6A4
SCHEMBL18713973 0.83 KCNH2 (0.40) PTGS2KCNH2
SCHEMBL20032454 0.83 PSEN1 (0.39) LMNAHTTKCNH2ALDH1A1CYP3A4
SCHEMBL18713509 0.81 KCNH2 (0.35) LMNATP53HTTKCNH2CRHR1

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 9 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-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 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 TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TRPV1 430/4885PTGS2 645/4885PTGS1 125/4885

“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.