SCHEMBL2779762

SCHEMBL2779762

CCc1ccccc1CNC(N)=Nc1ccc(C)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 8/20 0.55
▸ ADRA2B P18089 8/20 0.55
▸ ADRA2C P18825 8/20 0.55
▸ PLAU P00749 1/20 0.50
▸ SIGMAR1 Q99720 3/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 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
SCHEMBL2781731 0.86 ADRA2A (0.54) ADRA2AADRA2BADRA2CPLAULMNA
SCHEMBL2782078 0.85 ADRA2A (0.51) ADRA2AADRA2BADRA2CPLAULMNA
SCHEMBL4629712 0.84 ADRA2A (0.52) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL2777858 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL2779380 0.80 ADRA2A (0.48) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL2780849 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUSIGMAR1
SCHEMBL2780340 0.72 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAULMNA
SCHEMBL2780959 0.71 LMNA (0.49) ADRA2AADRA2BADRA2CPLAULMNA
SCHEMBL2782802 0.71 NPC1 (0.42) ADRA2AADRA2BADRA2CPLAULMNA
SCHEMBL2781085 0.71 MAPK1 (0.46) ADRA2AADRA2BADRA2CPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 — — US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 — — US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 — — 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 (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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E ADRA2A 78/4885ADRA2B 67/4885ADRA2C 31/4885

“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.

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