SCHEMBL2179648

SCHEMBL2179648

OCc1cc(N2CCCC2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 5/20 0.40
CASP5 P51878 5/20 0.40
HRH4 Q9H3N8 3/20 0.40
CASP4 P49662 4/20 0.39
SORD Q00796 1/20 0.39
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1D P25100 1/20 0.37

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
SCHEMBL3938069 0.85 CYP1A2 (0.49) KMT2ACYP1A2LMNAMAPTCRHBP
SCHEMBL9163278 0.81 CASP1 (0.53) KMT2ASMN1; SMN2CYP1A2LMNATSHR
SCHEMBL24851478 0.79 CHRM3 (0.55) KMT2ASMN1; SMN2CYP1A2LMNATSHR
SCHEMBL12486712 0.79 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2CYP1A2LMNATSHR
SCHEMBL2771738 0.76 CYP1A2 (0.47) KMT2ASMN1; SMN2CYP1A2LMNATSHR
SCHEMBL24851287 0.76 PDE4D (0.45) KMT2ASMN1; SMN2CYP1A2LMNATSHR
SCHEMBL21875342 0.75 SMN1; SMN2 (0.46) GBA1KMT2ASMN1; SMN2CYP1A2LMNA
SCHEMBL31490499 0.74 CCR1 (0.39) KMT2ASMN1; SMN2LMNATSHRMAPT
SCHEMBL18003560 0.74 CASP1 (0.42) GBA1KMT2ASMN1; SMN2CYP1A2LMNA
SCHEMBL4116293 0.74 CYP1A2 (0.48) KMT2ASMN1; SMN2CYP1A2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
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
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
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 GBA1 3216/4885KMT2A 2102/4885SMN1; SMN2 3000/4885

“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.