SCHEMBL2381444

SCHEMBL2381444

N#CC1(c2ccc(Br)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
OPRM1 P35372 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
OPRD1 P41143 1/20 0.42
CHRM4 P08173 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2636899 0.86 CA12 (0.66) CA12CA1CA2CA9CA7
SCHEMBL2428794 0.85 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL3931674 0.85 OPRM1 (0.61) CA12CA1CA2CA9CA7
SCHEMBL3494228 0.83 CA12 (0.49) CA12CA1CA2CA9CA7
SCHEMBL23647458 0.82 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL28123150 0.81 CA12 (0.47) CA12CA1CA2CA9CA7
SCHEMBL23647460 0.81 ALDH1A1 (0.54) CA12CA1CA2CA9CA7
SCHEMBL5376588 0.81 CA12 (0.47) CA12CA1CA2CA9CA7
SCHEMBL1938611 0.80 RORC (0.48) CA12CA1CA2CA9OPRM1
SCHEMBL23210895 0.79 CA12 (0.36) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745209-B Triazolopyridine compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2018-10-23 CN disclosed
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 WO disclosed
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 WO disclosed
CN-106470990-A pyridazine compounds 武田药品工业株式会社 2017-03-01 CN disclosed
CN-105745209-A Triazolopyridine compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2016-07-06 CN disclosed
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Method for Preparing a Spiroindoline 2011-09-22 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-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF CCR2, CXCR4, CXCR2 CA12 4815/4885CA1 3958/4885CA2 3930/4885

“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.