SCHEMBL1199782

SCHEMBL1199782

Cc1cc(Cl)c(N2CCOCC2)c(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1200351 0.85 HPGD (0.49) MAPTGAASMN1; SMN2HPGDNPSR1
SCHEMBL1200428 0.85 ALDH1A1 (0.40) MAPTGAASMN1; SMN2TSHRKDM4E
SCHEMBL1200661 0.81 HPGD (0.43) MAPTGAASMN1; SMN2HPGDNPSR1
SCHEMBL29278476 0.77 MAPT (0.50) MAPTGAASMN1; SMN2HPGDNPSR1
SCHEMBL3548981 0.75 MAPT (0.62) MAPTGAASMN1; SMN2KDM4ETHRB
SCHEMBL23536336 0.75 MAPT (0.46) MAPTGAASMN1; SMN2KDM4ETHRB
SCHEMBL29932002 0.75 MAPT (0.46) MAPTGAASMN1; SMN2KDM4ETHRB
SCHEMBL23555248 0.75 CRHR1 (0.44) MAPTGAASMN1; SMN2HPGDNPSR1
SCHEMBL2436520 0.72 KDM4E (0.55) MAPTGAASMN1; SMN2HPGDNPSR1
SCHEMBL24269710 0.72 KMT2A (0.45) MAPTGAASMN1; SMN2KDM4EGPR55

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
EP-2207772-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-07-21 EP disclosed
WO-2009044311-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-09 WO disclosed
WO-2009044311-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-09 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 (1 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-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor CCR9, CCR1, CCR10 MAPT 3701/4885GAA 2884/4885SMN1; SMN2 1214/4885

“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.