SCHEMBL4980296

SCHEMBL4980296

CSc1ccc(C=C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.48
SRD5A1 P18405 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4974215 0.81 GPR119 (0.55) SRD5A2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL14720788 0.80 SRD5A2 (0.48) SRD5A2SRD5A1
SCHEMBL19994676 0.80 SRD5A2 (0.48) SRD5A2SRD5A1ALDH1A1NPC1RAB9A
SCHEMBL17750085 0.80 LSS (0.51) SRD5A2SRD5A1KMT2AMEN1AKR1C3
SCHEMBL14720576 0.77 SRD5A1 (0.52) SRD5A2SRD5A1
SCHEMBL6194728 0.77 OGA (0.50) SRD5A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL14720706 0.76 SRD5A1 (0.51) SRD5A2SRD5A1
SCHEMBL14720404 0.76 ALDH1A1 (0.46) SRD5A2SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL14722165 0.76 SRD5A1 (0.51) SRD5A2SRD5A1
SCHEMBL1870246 0.75 CASP3 (0.47) SRD5A2SRD5A1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 SRD5A2 1675/4885SRD5A1 1350/4885ALDH1A1 939/4885

“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.