SCHEMBL10137347

SCHEMBL10137347

CN1CCN(c2cncc(B3OC(C)(C)C(C)(C)O3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.39
HTR3A P46098 6/20 0.39
HTR3E A5X5Y0 4/20 0.36
HTR3B O95264 4/20 0.36
HTR3D Q70Z44 4/20 0.36
HTR3C Q8WXA8 4/20 0.36
HRH3 Q9Y5N1 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THPO P40225 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL31015657 0.88 PDE10A (0.34) HRH4CYP11B1CYP11B2PIM2ALDH1A1
SCHEMBL10137342 0.86 KMT2A (0.37) HRH4CYP11B1CYP11B2PIM2ALDH1A1
SCHEMBL19867650 0.80 HTR3A (0.53) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL10137346 0.78 HRH4 (0.40) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL12614839 0.72 ALDH1A1 (0.38) PIM2ALDH1A1CYP1A2KDM4ECYP3A4
SCHEMBL28506430 0.72 MAPT (0.40) HRH4HTR3AALDH1A1KDM4ETSHR
SCHEMBL3803696 0.71 NOS3 (0.38) HRH4HTR3ACYP11B2KDM4E
SCHEMBL29542633 0.71 HTR3A (0.42) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL578540 0.71 HTR3A (0.42) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL21236708 0.70 HTR3A (0.44) HRH4HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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 (2 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH4 4420/4885HTR3A 4233/4885HTR3E 3166/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH4 4420/4885HTR3A 4233/4885HTR3E 3166/4885

“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.