SCHEMBL947906

SCHEMBL947906

Cc1ncn2c1CN(C1CCN(C(=O)OCc3ccccc3)CC1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GRIN2B Q13224 12/20 0.50
CYP2C19 P33261 1/20 0.49
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 3/20 0.46
HTT P42858 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL948517 0.79 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2855618 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL947735 0.76 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL7399416 0.76 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5493772 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2851491 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5866405 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL950010 0.74 F2 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL14334656 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL31435518 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 SMN1; SMN2 3368/4885NPC1 2889/4885RAB9A 3665/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 SMN1; SMN2 3635/4885NPC1 2969/4885RAB9A 3699/4885

“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.