SCHEMBL1108716

SCHEMBL1108716

Cn1c(C2CCN(c3ncccc3Cl)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.44
TRPV1 Q8NER1 2/20 0.41
HSD11B1 P28845 3/20 0.40
AVPR1A P37288 4/20 0.39
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
NR1I2 O75469 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
SCHEMBL1108702 0.96 HSD11B1 (0.43) MALT1TRPV1HSD11B1AVPR1ANR1I2
SCHEMBL1108721 0.82 HSD11B1 (0.39) HSD11B1OPRM1OPRD1OPRK1NR1I2
SCHEMBL1108786 0.79 ALDH1A1 (0.40) HSD11B1OPRM1OPRD1OPRK1NR1I2
SCHEMBL1108712 0.78 HSD11B1 (0.43) HSD11B1NR1I2
SCHEMBL1108790 0.77 HSD11B1 (0.46) HSD11B1NR1I2
SCHEMBL1108863 0.76 SCD (0.40) MALT1TRPV1HSD11B1OPRM1OPRD1
SCHEMBL1108717 0.76 ADRB2 (0.41) HSD11B1OPRM1NR1I2
SCHEMBL1108714 0.75 MEN1 (0.45) HSD11B1OPRM1NR1I2
SCHEMBL1108708 0.75 OPRD1 (0.45) HSD11B1OPRD1OPRK1
SCHEMBL14114470 0.75 MALT1 (0.42) MALT1TRPV1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US 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-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO HSD11B1, HSD17B1, HSD17B3 MALT1 1569/4885TRPV1 1750/4885HSD11B1 1/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 MALT1 2841/4885TRPV1 1170/4885HSD11B1 41/4885

“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.