SCHEMBL16892000

SCHEMBL16892000

COc1ccc(C2CCN(Cl)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
PROKR1 Q8TCW9 5/20 0.44
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
FDFT1 P37268 1/20 0.40
DRD2 P14416 2/20 0.40
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
DRD1 P21728 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD4 P21917 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL6872023 0.85 PROKR1 (0.44) MMP2MMP13PROKR1HTR3EHTR3B
SCHEMBL3139821 0.80 PTGDR2 (0.50) PROKR1CHRNA7
SCHEMBL13999824 0.78 PROKR1 (0.51) MMP2MMP13PROKR1SMN1; SMN2HSD11B1
SCHEMBL5584891 0.78 HTR2C (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12769106 0.78 DRD2 (0.45) PROKR1DRD2
SCHEMBL12897220 0.77 PROKR1 (0.40) MMP2MMP13PROKR1HTR3EHTR3B
SCHEMBL12897956 0.76 TSHR (0.39) MMP2MMP13PROKR1HTR3EHTR3B
SCHEMBL16902744 0.75 DRD2 (0.61) DRD2HSD11B1CHRNA7
SCHEMBL28506219 0.75 PROKR1 (0.57) PROKR1DRD2
SCHEMBL12925355 0.74 HTR1A (0.39) MMP2MMP13PROKR1PKMSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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 (3 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-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A MMP2 3962/4885MMP13 4665/4885PROKR1 3512/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A MMP2 3962/4885MMP13 4665/4885PROKR1 3512/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A MMP2 3962/4885MMP13 4665/4885PROKR1 3512/4885

“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.