SCHEMBL2171978

SCHEMBL2171978

CC1(c2ccc(Cl)cc2Cl)CO1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.39
SLC6A2 P23975 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL24186494 0.85 BACE1 (0.39) KMT2A
SCHEMBL9835321 0.81 PDE4A (0.38) SLC6A4ALDH1A1LMNA
SCHEMBL29880446 0.81 PDE4A (0.38) SLC6A4ALDH1A1LMNA
SCHEMBL2662444 0.78 SLC6A4 (0.41) SLC6A4SLC6A3TSHRCYP3A4TP53
SCHEMBL21340378 0.77 CYP3A4 (0.49) SLC6A4SLC6A3TSHRCYP3A4SLC6A2
SCHEMBL9835436 0.76 SLC6A4 (0.43) SLC6A4SLC6A3TSHRCYP3A4TP53
SCHEMBL8196872 0.75 TSHR (0.43) SLC6A4SLC6A3TSHRCYP3A4TP53
SCHEMBL9921757 0.75 SLC6A3 (0.49) SLC6A4SLC6A3TSHRCYP3A4TP53
SCHEMBL10885411 0.73 SLC6A4 (0.44) SLC6A4SLC6A3TSHRCYP3A4TP53
SCHEMBL10877769 0.73 SLC6A4 (0.42) SLC6A4SLC6A3TSHRCYP3A4TP53

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
EP-0395175-B1 Thiazole derivatives SHELL INT RESEARCH (NL) 1994-09-07 EP disclosed
US-5057529-A Fungicides SHELL RESEARCH LIMITED (GB) 1991-10-15 US disclosed
EP-0395175-A2 Thiazole derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-10-31 EP disclosed
EP-0049913-B1 NEW ETHENYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; INTERMEDIATES, USEFUL IN THEIR PREPARATION AND A PROCESS FOR THE PREPARATION THEREOF GIST-BROCADES N.V. (NL) 1986-03-19 EP disclosed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP 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 (2 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A SLC6A4 160/4885SLC6A3 118/4885TSHR 704/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A SLC6A4 160/4885SLC6A3 118/4885TSHR 704/4885

“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.