SCHEMBL3115244

SCHEMBL3115244

[NH]CC1CCc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
SMYD3 Q9H7B4 1/20 0.38
CREBBP Q92793 2/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PLAU P00749 1/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
MASP2 O00187 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL7951734 0.85 MTNR1A (0.55) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL3972852 0.81 MTNR1A (0.52) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL700861 0.81 MTNR1A (0.56) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL3108670 0.81 MTNR1A (0.55) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL2124605 0.81 MTNR1A (0.52) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL7149457 0.81 MTNR1A (0.56) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL4139663 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL20870486 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL22262591 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL3441906 0.81 MTNR1A (0.56) MTNR1ASMYD3CREBBPBRD4NPC1

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 4 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-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-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 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 MTNR1A 88/4885SMYD3 4007/4885CREBBP 4589/4885

“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.