SCHEMBL3556103

SCHEMBL3556103

CC1(C(=O)OCc2ccccc2)CCN(C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL3558511 0.89 ALDH1A1 (0.46) SMN1; SMN2DDB1CRBNALDH1A1MEN1
SCHEMBL25670728 0.88 CYP2D6 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL27527934 0.86 ALDH1A1 (0.46) DDB1CRBNALDH1A1
SCHEMBL16488071 0.85 OPRM1 (0.51) DDB1CRBNALDH1A1
SCHEMBL3560767 0.84 ALDH1A1 (0.48) CYP2C19SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3563828 0.83 MEN1 (0.56) MEN1KMT2ANPSR1
SCHEMBL3104656 0.82 MEN1 (0.50) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL629912 0.82 MEN1 (0.54) CYP2C19SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12026430 0.81 CHRM1 (0.47) DDB1CRBNALDH1A1
SCHEMBL18692576 0.81 ALDH1A1 (0.53) DDB1CRBNALDH1A1KMT2A

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
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 CYP2C19 595/4885SMN1; SMN2 3430/4885DDB1 4839/4885

“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.