SCHEMBL3515288

SCHEMBL3515288

c1cnc2cc(C3CC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NR4A2 P43354 1/20 0.52
CHRNA7 P36544 1/20 0.46
IDO1 P14902 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
GSK3B P49841 1/20 0.43
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL31121067 1.00 ALDH1A1 (0.52) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL22288192 0.93 ALDH1A1 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL4971125 0.91 BACE1 (0.50) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL15534906 0.89 QDPR (0.46) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28706150 0.88 ESR1 (0.47) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28712870 0.88 ALDH1A1 (0.41) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL22857367 0.87 DDB1 (0.48) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL29940279 0.85 IDO1 (0.57) ALDH1A1MEN1CASP1KMT2AHTT
SCHEMBL28286305 0.85 IDO1 (0.57) ALDH1A1MEN1CASP1KMT2AHTT
SCHEMBL24869912 0.82 SLC6A2 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A

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-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 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-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 ALDH1A1 1777/4885MEN1 3638/4885CASP1 2817/4885

“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.