SCHEMBL3566447

SCHEMBL3566447

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KCNH2 Q12809 1/20 0.54
SIGMAR1 Q99720 4/20 0.53
OPRM1 P35372 4/20 0.53
ACHE P22303 1/20 0.51
HTR2A P28223 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
DRD1 P21728 1/20 0.51
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
MAPT P10636 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
SCHEMBL1269458 0.84 CYP2D6 (0.61) KMT2AMEN1SIGMAR1CHRM2CYP2D6
SCHEMBL8970760 0.83 KCNA3 (0.63) OPRM1LMNAOPRD1OPRK1
SCHEMBL8491426 0.81 SLC6A3 (0.54) SLC6A3KMT2AMEN1KCNH2SIGMAR1
SCHEMBL7289267 0.80 SIGMAR1 (0.53) SLC6A3KMT2AMEN1KCNH2SIGMAR1
SCHEMBL18203104 0.80 SLC6A3 (0.53) SLC6A3KMT2AMEN1KCNH2SIGMAR1
SCHEMBL3554958 0.80 KCNA3 (0.60) SLC6A3KMT2AMEN1KCNH2SIGMAR1
SCHEMBL8970769 0.79 SLC6A3 (0.56) SLC6A3KMT2AMEN1SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL18191772 0.79 SLC6A3 (0.51) SLC6A3KMT2AMEN1KCNH2SIGMAR1
SCHEMBL4293243 0.78 DRD2 (0.55) CHRM2CYP2D6TSHR
SCHEMBL8970828 0.78 SIGMAR1 (0.56) SLC6A3KMT2AKCNH2SIGMAR1OPRM1

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 SLC6A3 480/4885KMT2A 3265/4885MEN1 1845/4885

“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.