SCHEMBL2632704

SCHEMBL2632704

CCC(CC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
SLC6A2 P23975 10/20 0.44
SLC6A4 P31645 9/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 10/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 5/20 0.42
KCNH2 Q12809 5/20 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
SCHEMBL29294802 0.85 SLC6A3 (0.48) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL12735675 0.83 S1PR1 (0.41) SMN1; SMN2
SCHEMBL20032302 0.83 CYP3A4 (0.43) SLC6A2SLC6A4ALDH1A1SMN1; SMN2SLC6A3
SCHEMBL18948425 0.82 NR1I2 (0.51) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL13074863 0.82 SLC6A4 (0.50) SLC6A2SLC6A4ALDH1A1LMNAHTT
SCHEMBL18598585 0.81 SLC6A2 (0.44) SLC6A2SLC6A4LMNAHTTSMN1; SMN2
SCHEMBL19464650 0.81 SHBG (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL16770733 0.80 ALDH1A1 (0.48) AHRSLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL9963710 0.80 ALDH1A1 (0.48) AHRSLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL27363114 0.80 ALDH1A1 (0.48) AHRSLC6A2SLC6A4ALDH1A1LMNA

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 17 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
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
EP-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 EP disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
CN-1308306-C 2-aryl-trisubstituted indole acetamide derivative and medicinal use thereof INST PHARM & TOXICOLOGY AMMS (CN) 2007-04-04 CN disclosed
CN-1151129-C 2-acryl-3-substituted indoacetamide derivative and its medical application 中国人民解放军军事医学科学院毒物药 2004-05-26 CN disclosed
CN-1463968-A 2-aryl-trisubstituted indole acetamide derivative and medicinal use thereof CHINESE ACAD MED SCIENCE (CN) 2003-12-31 CN disclosed
CN-1380287-A 2-acryl-3-substituted indoacetamide derivative and its medical application INST OF TOXIC MATERIA MEDICA A (CN) 2002-11-20 CN 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 (10 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 AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 AHR 1111/4885SLC6A2 446/4885SLC6A4 252/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AHR 21/4885SLC6A2 109/4885SLC6A4 19/4885

“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.