SCHEMBL12646232

SCHEMBL12646232

CCC(CC)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
IDO1 P14902 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TDO2 P48775 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL16770710 0.88 TSHR (0.36) TSHRMAPTMEN1KMT2AADRA2A
SCHEMBL18713913 0.88 RAPGEF4 (0.36) TSHRADRA2AADRA2BADRA2CRAPGEF4
SCHEMBL16771268 0.88 TSHR (0.36) TSHRMAPTMEN1KMT2AADRA2A
SCHEMBL26923223 0.86 GABBR2 (0.35) TSHRMAPTMEN1KMT2ATP53
SCHEMBL26922749 0.86 GABBR2 (0.35) TSHRMAPTMEN1KMT2ATP53
SCHEMBL26922751 0.86 GABBR2 (0.35) TSHRMAPTMEN1KMT2ATP53
SCHEMBL21164276 0.86 TSHR (0.35) TSHRMAPTMEN1KMT2AESR1
SCHEMBL16770812 0.86 TSHR (0.35) TSHRMAPTMEN1KMT2AAKR1B10
SCHEMBL20032271 0.84 RAPGEF4 (0.37) RAPGEF4
SCHEMBL23159252 0.83 ALDH1A1 (0.35) TSHRMAPTMEN1KMT2AIDO1

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 28 patents — showing the first 20. 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-10787445-B2 Inhibitors of beta-hydroxylase for treatment of cancer MIDWESTERN UNIVERSITY (US) 2020-09-29 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-20190300519-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2019-10-03 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-7432273-B2 Phosphonate analogs of antimetabolites GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates GILEAD SCIENCES, INC. 2007-12-06 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070072809-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 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 (16 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-20070072809-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 TSHR 4829/4885MAPT 3608/4885MEN1 4774/4885
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation TTR, TTPA, APOB TSHR 1585/4885MAPT 8/4885MEN1 3215/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-10787445-B2 Inhibitors of beta-hydroxylase for treatment of cancer ASPH, CYP46A1, ALDH7A1 TSHR 4665/4885MAPT 3252/4885MEN1 4462/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 TSHR 3915/4885MAPT 4602/4885MEN1 3913/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 TSHR 2471/4885MAPT 2808/4885MEN1 208/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 TSHR 436/4885MAPT 4603/4885MEN1 2508/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-20190300519-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 TSHR 4665/4885MAPT 3252/4885MEN1 4462/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN TSHR 4311/4885MAPT 4166/4885MEN1 914/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885MAPT 4256/4885MEN1 629/4885
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates PIK3CA, PNKP, PLK1 TSHR 2155/4885MAPT 1585/4885MEN1 1340/4885

“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.