SCHEMBL14027005

SCHEMBL14027005

COc1ccc(CN2C(=O)CC3(CCCN(Cc4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.54
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
CYP2D6 P10635 3/20 0.48
TSHR P16473 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7014779 0.96 SIGMAR1 (0.59) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL5591585 0.82 SIGMAR1 (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL12846708 0.79 CHRM2 (0.58) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14520044 0.77 MEN1 (0.53) PTGDR2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10566456 0.75 SIGMAR1 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14520045 0.75 CCR5 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL16163258 0.74 L3MBTL1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL28217942 0.73 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APOLBALDH1A1
SCHEMBL41550 0.72 MEN1 (0.50) SIGMAR1PTGDR2MEN1KMT2AALDH1A1
SCHEMBL7016275 0.71 SIGMAR1 (0.72) SIGMAR1CYP2D6TSHRMEN1KMT2A

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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 SIGMAR1 190/4885DRD2 763/4885HTR2A 192/4885

“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.