SCHEMBL10169328

SCHEMBL10169328

CCN1CCC(CNc2cc(C)ncn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
GPR39 O43194 1/20 0.45
MEN1 O00255 3/20 0.40
CD274 Q9NZQ7 1/20 0.40
PIM1 P11309 2/20 0.40
CAMK2D Q13557 1/20 0.40
CHEK1 O14757 3/20 0.38
CHEK2 O96017 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3A P46098 1/20 0.36
S1PR1 P21453 1/20 0.36
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL793117 0.86 HRH4 (0.49) HRH4GPR39CD274PIM1HRH3
SCHEMBL6536475 0.80 HRH4 (0.47) HRH4GPR39CD274S1PR1
SCHEMBL5353908 0.78 CHEK1 (0.54) HRH4GPR39CD274PIM1CHEK1
SCHEMBL25986477 0.78 CHEK1 (0.54) HRH4GPR39CD274CHEK1CHEK2
SCHEMBL5352046 0.71 GRIN2B (0.72)
SCHEMBL28267685 0.70 MALT1 (0.41) HRH4MEN1PIM1CAMK2DKMT2A
SCHEMBL15114903 0.69 EGFR (0.46) HRH4CD274
SCHEMBL23028647 0.69 MCHR1 (0.45) MEN1PIM1CAMK2DHRH3KMT2A
SCHEMBL2580117 0.69 HRH4 (0.56) HRH4GPR39MEN1CHEK1CHEK2
SCHEMBL1774715 0.69 HRH4 (0.68) HRH4GPR39CHEK1CHEK2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071492-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-03-22 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-20120071492-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK HRH4 3526/4885GPR39 2968/4885MEN1 2122/4885

“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.