SCHEMBL3187602

SCHEMBL3187602

CN(C)CCNc1cc(NC2CC3CCC2C3)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
DNM2 P50570 3/20 0.41
HRH4 Q9H3N8 7/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
IGF1R P08069 2/20 0.38
NUDT1 P36639 1/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 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
SCHEMBL3187610 1.00 HRH3 (0.43) HRH3DNM2HRH4PDGFRBPDGFRA
SCHEMBL2567744 0.77 DNM2 (0.64) HRH3DNM2HRH4NUDT1
SCHEMBL3198280 0.75 PDGFRB (0.44) HRH4PDGFRBPDGFRAGABBR2GABBR1
SCHEMBL3198284 0.75 PDGFRB (0.44) HRH4PDGFRBPDGFRAGABBR2GABBR1
SCHEMBL3195429 0.70 HRH4 (0.63) HRH3HRH4NUDT1
SCHEMBL3195421 0.70 HRH4 (0.63) HRH3HRH4NUDT1
SCHEMBL12605112 0.69 HRH3 (0.54) HRH3DNM2HRH4NUDT1
SCHEMBL3209288 0.69 CYP2D6 (0.64) HRH3DNM2HRH4
SCHEMBL16369780 0.68 GBA1 (0.44) PDGFRBPDGFRAGABBR2GABBR1
SCHEMBL19116038 0.68 NUDT1 (0.58) HRH4PDGFRBPDGFRANUDT1GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 HRH3 3/4885DNM2 3882/4885HRH4 1/4885

“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.