SCHEMBL2777858

SCHEMBL2777858

Cc1ccc(N=C(N)NCc2ccccc2OC(C)C)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.49
▸ ADRA2B P18089 4/20 0.49
▸ ADRA2C P18825 4/20 0.49
▸ PLAU P00749 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL2779380 0.90 ADRA2A (0.48) ADRA2AADRA2BADRA2CPLAUTAS1R3
SCHEMBL4629712 0.87 ADRA2A (0.52) ADRA2AADRA2BADRA2CPLAUHPGD
SCHEMBL2782078 0.86 ADRA2A (0.51) ADRA2AADRA2BADRA2CPLAUNPSR1
SCHEMBL2782757 0.83 TAS1R3 (0.43) ADRA2AADRA2BADRA2CPLAUTAS1R3
SCHEMBL2779762 0.81 ADRA2A (0.55) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL2781731 0.80 ADRA2A (0.54) ADRA2AADRA2BADRA2CPLAUSMN1; SMN2
SCHEMBL2780849 0.77 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUSMN1; SMN2
SCHEMBL2781942 0.74 HTT (0.52) HPGDNPSR1NPC1POLBHTT
SCHEMBL2777856 0.74 TAS1R3 (0.44) TAS1R3TAS1R1SMN1; SMN2HPGDNPSR1
SCHEMBL2780340 0.74 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAUSMN1; SMN2

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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