SCHEMBL12409869

SCHEMBL12409869

CCOc1nc(N2CCN(C)CC2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.63
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
HTR3A P46098 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 2/20 0.56
GBA1 P04062 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
CYP2D6 P10635 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 1/20 0.54
HTR6 P50406 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL29268326 0.77 HRH4 (1.00) HRH4MEN1KMT2A
SCHEMBL4091121 0.77 HTR3E (0.62) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13125713 0.76 HRH4 (1.00) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL5320912 0.76 HTR3B (0.69) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL28518369 0.75 KDM1A (0.57) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL6125247 0.74 TSHR (0.84) HRH4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11740107 0.74 HTR3B (0.68) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL5667942 0.74 CCNE2 (0.45) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL28842428 0.73 ABCG2 (0.61) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL4085081 0.73 HTR3E (0.66) HRH4HTR3EHTR3BHTR3AHTR3D

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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B HRH4 285/4885HTR3E 1446/4885HTR3B 1469/4885

“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.