SCHEMBL12397137

SCHEMBL12397137

CN1CC(C(N)=O)(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
OPRM1 P35372 5/20 0.46
OPRL1 P41146 2/20 0.46
DRD4 P21917 1/20 0.46
OPRK1 P41145 3/20 0.45
OPRD1 P41143 2/20 0.45
ADRA1A P35348 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
AKR1C1 Q04828 1/20 0.44
HSD11B1 P28845 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HDAC4 P56524 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL18269494 0.85 AKR1C1 (0.57) LMNAOPRM1DRD4OPRK1OPRD1
SCHEMBL12227090 0.82 OPRM1 (0.61) OPRM1OPRL1DRD4OPRK1OPRD1
SCHEMBL2158276 0.81 HSD11B1 (0.46) LMNAOPRM1OPRL1OPRK1OPRD1
SCHEMBL6378176 0.78 OPRL1 (0.41) LMNAOPRM1OPRL1DRD4OPRK1
SCHEMBL501923 0.78 AKR1C1 (0.57) OPRM1OPRL1OPRK1OPRD1AKR1C1
SCHEMBL2722547 0.78 AKR1C1 (0.57) OPRM1OPRL1OPRK1OPRD1AKR1C1
Hydrochloric Acid SCHEMBL1804765 0.76 AKR1C1 (0.55) OPRM1OPRL1OPRK1OPRD1AKR1C1
SCHEMBL2159431 0.76 AKR1C1 (0.40) OPRM1OPRL1OPRK1OPRD1ADRA1A
SCHEMBL680913 0.75 OPRM1 (0.57) OPRM1DRD4OPRK1OPRD1ADRA1A
SCHEMBL42114 0.75 AKR1C1 (0.70) LMNAOPRL1AKR1C1HSD11B1ALDH1A1

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
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 LMNA 3477/4885OPRM1 111/4885OPRL1 37/4885

“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.