SCHEMBL2799588

SCHEMBL2799588

NC(N)=NCCc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.64
MC3R P41968 2/20 0.64
MC1R Q01726 1/20 0.64
ADORA2A P29274 2/20 0.64
HTR2A P28223 3/20 0.60
CYP3A4 P08684 2/20 0.60
HTR2C P28335 2/20 0.60
MPO P05164 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2A6 P11509 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR7 P34969 1/20 0.60
CTSK P43235 1/20 0.60
HTR6 P50406 1/20 0.60
CYP2A13 Q16696 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
RAB9A P51151 1/20 0.58

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
SCHEMBL5513944 0.81 MAPT (0.57) ADORA2AHTR2ACYP3A4HTR2CMPO
SCHEMBL4985934 0.78 HTR2A (0.77) MC5RMC3RMC1RHTR2ACYP3A4
SCHEMBL5598639 0.78 HTR2A (0.61) MC5RMC3RMC1RHTR2ACYP3A4
SCHEMBL13668031 0.78 HTR2A (0.61) MC5RMC3RMC1RHTR2ACYP3A4
SCHEMBL4404041 0.78 HTR2A (0.61) MC5RMC3RMC1RHTR2ACYP3A4
SCHEMBL7615214 0.78 ADORA2A (0.53) ADORA2AHTR2ACYP3A4HTR2CMPO
Tryptamine SCHEMBL8714244 0.75 HTR2A (1.00) MC5RMC3RMC1RHTR2ACYP3A4
Tryptophol SCHEMBL29364545 0.75 HTR2A (0.67) MC5RMC3RMC1RHTR2ACYP3A4
Tryptophol SCHEMBL196126 0.75 HTR2A (0.67) MC5RMC3RMC1RHTR2ACYP3A4
Tryptamine SCHEMBL29373222 0.75 HTR2A (1.00) MC5RMC3RMC1RHTR2ACYP3A4

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 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
WO-2000009115-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO 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 MC5R 38/4885MC3R 491/4885MC1R 400/4885

“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.