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SCHEMBL3115990

SCHEMBL3115990

CCNC(=O)c1ccc(OCCCc2ccccc2)c(-n2cc(C(=O)NC3CC3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.51
▸ MAPK14 Q16539 2/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ DRD4 P21917 4/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ DRD2 P14416 2/20 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
SCHEMBL3118064 0.93 BRD4 (0.49) BRD4MAPK14OPRM1OPRD1DRD4
SCHEMBL3109644 0.89 BRD4 (0.56) BRD4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3116968 0.87 BRD4 (0.54) BRD4CNR2ALDH1A1CYP1A2CYP2D6
SCHEMBL3113705 0.86 BRD4 (0.53) BRD4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3103956 0.86 DRD4 (0.42) BRD4MAPK14OPRM1OPRD1DRD4
SCHEMBL3117580 0.84 BRD4 (0.52) BRD4ALDH1A1
SCHEMBL3111807 0.84 MIF (0.44) BRD4CNR2
SCHEMBL3099940 0.83 ACKR3 (0.39) BRD4MAPK14DRD4CYSLTR2
SCHEMBL3104407 0.83 BRD4 (0.48) BRD4MAPK14OPRM1OPRD1DRD4
SCHEMBL3116006 0.82 BRD4 (0.52) BRD4ALDH1A1CYP1A2CYP2D6CYP2C9

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 BRD4 700/4885MAPK14 1769/4885OPRM1 610/4885

“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.