SCHEMBL3170901

SCHEMBL3170901

COC(=O)C(O)(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MCHR1 Q99705 1/20 0.47
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.41
SSTR4 P31391 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNN4 O15554 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL10789216 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MCHR1TSHRHPGDSSTR4
SCHEMBL3163695 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MCHR1MEN1KMT2AMAPT
SCHEMBL3172917 0.85 HTT (0.44) SMN1; SMN2MCHR1TSHRMEN1KMT2A
SCHEMBL27932320 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MCHR1TSHRHPGDSSTR4
SCHEMBL1627157 0.82 CNR1 (0.51) SMN1; SMN2MCHR1TSHRHPGDSSTR4
SCHEMBL11001322 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MCHR1TSHRMEN1KMT2A
SCHEMBL11841428 0.79 MEN1 (0.66) SMN1; SMN2TSHRMEN1KMT2AHPGD
SCHEMBL3179064 0.77 KCNN4 (0.46) MEN1KMT2AHPGDMAPTNPSR1
SCHEMBL3168786 0.77 CYP2C9 (0.50) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL7408847 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MCHR1TSHRMEN1KMT2A

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
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO 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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 SMN1; SMN2 2882/4885MCHR1 119/4885TSHR 839/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 SMN1; SMN2 3005/4885MCHR1 134/4885TSHR 453/4885

“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.