SCHEMBL3562371

SCHEMBL3562371

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.48
ALOX15 P16050 1/20 0.44
LTA4H P09960 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
PRMT3 O60678 1/20 0.31

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
SCHEMBL1527313 0.78 ALOX15 (0.46) ALOX15GNAI3GNAO1GNAI1ARG1
SCHEMBL12125954 0.78 FFAR3 (0.54) FFAR3LTA4HCHRM1OPRM1OPRD1
SCHEMBL24134740 0.77 FFAR3 (0.43) FFAR3LTA4HDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL14964956 0.76 FFAR3 (0.52) FFAR3LTA4HCHRM1OPRM1OPRD1
SCHEMBL30901702 0.75 ALOX15 (0.52) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL2055540 0.74 FFAR3 (0.62) FFAR3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL29108991 0.74 ALOX15 (0.57) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL3566447 0.73 SLC6A3 (0.54) SIGMAR1CHRM2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2036241 0.73 FFAR3 (0.59) FFAR3OPRM1OPRD1OPRK1ADRA1A
SCHEMBL17527199 0.73 FFAR3 (0.59) FFAR3LTA4H

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 4 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
CN-1856305-B Pyridine derivatives as urotensin II antagonists ACTELION PHARMACEUTICALS LTD 2010-04-28 CN disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN 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 FFAR3 498/4885ALOX15 1892/4885LTA4H 553/4885

“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.