SCHEMBL476374

SCHEMBL476374

NC(=O)C1(C2CCCCC2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
EPHX1 P07099 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 2/20 0.34
PMP22 Q01453 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL476505 0.90 KDM4E (0.44) KMT2AEPHX1KDM4ETSHRPMP22
SCHEMBL5200159 0.86 KMT2A (0.37) KMT2AEPHX1KDM4ETSHRPMP22
SCHEMBL994460 0.86 EPHX1 (0.38) KMT2AEPHX1KDM4ETSHRPMP22
Hydrochloric Acid SCHEMBL6502877 0.85 KMT2A (0.36) KMT2AEPHX1KDM4ETSHRPMP22
SCHEMBL5202006 0.84 KDM4E (0.41) KMT2AEPHX1KDM4ETSHRPMP22
SCHEMBL29078535 0.84 CYP3A4 (0.42) KMT2AEPHX1TSHRPMP22CYP2D6
SCHEMBL15579618 0.84 CYP3A4 (0.42) KMT2AEPHX1TSHRPMP22CYP2D6
SCHEMBL1041208 0.84 CYP3A4 (0.39) KMT2AEPHX1KDM4ETSHRPMP22
SCHEMBL30152476 0.84 CYP3A4 (0.42) KMT2AEPHX1TSHRPMP22CYP2D6
SCHEMBL3097412 0.82 EPHX1 (0.41) KMT2AEPHX1HRH3TSHRPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, HCRTR1, NR3C1 KMT2A 1992/4885EPHX1 2528/4885KDM4E 1934/4885

“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.