SCHEMBL1708997

SCHEMBL1708997

O=C(c1ccc2ccccc2n1)N1CCC(B(O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GRIN2B Q13224 2/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGAM O43451 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
PTK2 Q05397 1/20 0.45
DPP4 P27487 1/20 0.44
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL14627980 0.81 TSHR (0.71) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL16002861 0.80 TSHR (0.59) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL4079342 0.80 TSHR (0.69) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL5804697 0.80 TSHR (0.58) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL16000480 0.78 TSHR (0.56) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL3455111 0.78 SLC6A2 (0.64) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL17594997 0.77 TSHR (0.66) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL3455617 0.77 TSHR (0.58) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL8061129 0.77 TSHR (0.70) TSHRGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL5139469 0.77 TSHR (0.66) TSHRGAAMAPK1RAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802119-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-8802119-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-8541581-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541581-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS ,INC (US) 2012-04-12 US disclosed
US-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS ,INC (US) 2012-04-12 US disclosed
WO-2010118159-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 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-20120088738-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CES1 TSHR 1387/4885GAA 671/4885MAPK1 3975/4885

“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.