SCHEMBL3554958

SCHEMBL3554958

O=C(O)C1(c2ccccc2)CCN(CCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.60
SIGMAR1 Q99720 3/20 0.55
SLC6A3 Q01959 1/20 0.53
AKR1C1 Q04828 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
KCNH2 Q12809 1/20 0.52
TET3 O43151 1/20 0.51
FBXL19 Q6PCT2 1/20 0.51
CXXC5 Q7LFL8 1/20 0.51
TET1 Q8NFU7 1/20 0.51
KDM2B Q8NHM5 1/20 0.51
CXXC4 Q9H2H0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
HTR2A P28223 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL7311113 0.91 KCNA3 (0.71) KCNA3SIGMAR1OPRM1
SCHEMBL2794291 0.84 OPRL1 (0.64) SIGMAR1AKR1C1KMT2AMEN1TET3
SCHEMBL9396812 0.83 KMT2A (0.56) KCNA3AKR1C1KMT2ATET3FBXL19
SCHEMBL11721858 0.83 AKR1C1 (0.54) KCNA3AKR1C1KMT2AMEN1TET3
Hydrochloric Acid SCHEMBL2793069 0.83 POLB (0.65) SIGMAR1AKR1C1KMT2ATET3FBXL19
SCHEMBL3561518 0.83 AKR1C1 (0.54) KCNA3AKR1C1KMT2ATET3FBXL19
Pheneridine SCHEMBL1922392 0.83 KCNA3 (0.86) KCNA3KCNH2OPRM1OPRD1OPRK1
SCHEMBL7068026 0.81 AKR1C1 (0.51) KCNA3AKR1C1KMT2ATET3FBXL19
SCHEMBL9065208 0.81 OPRM1 (0.65) KCNA3KMT2ALMNAOPRM1OPRD1
SCHEMBL3566447 0.80 SLC6A3 (0.54) SIGMAR1SLC6A3KMT2AMEN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 KCNA3 281/4885SIGMAR1 462/4885SLC6A3 480/4885

“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.