SCHEMBL3274668

SCHEMBL3274668

CNC(C)B(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.33
SLC18A2 Q05940 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM2 P08172 1/20 0.32
ADRA1A P35348 1/20 0.32
RGS12 O14924 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
GNAI1 P63096 1/20 0.32

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
SCHEMBL3274036 0.74 KDM4E (0.32)
SCHEMBL17698461 0.74 ORAI1 (0.36) TAAR1SLC18A2SIGMAR1CHRM2ADRA1A
SCHEMBL3274671 0.66 TAAR1 (0.38) TAAR1SIGMAR1CYP3A4HTR2AMEN1
SCHEMBL21757942 0.65 ORAI1 (0.41) TAAR1SIGMAR1CYP2D6TSHRALOX12
SCHEMBL3275714 0.65 TRPV6 (0.70)
SCHEMBL17698457 0.63 ORAI1 (0.36) CYP3A4ALOX15TSHRALOX12MEN1
SCHEMBL17698460 0.62 KDM4E (0.47) TAAR1CYP3A4CYP2C9ALOX15TSHR
SCHEMBL10454943 0.62 SLC6A2 (0.41) TAAR1SIGMAR1CYP2D6ADRA2C
SCHEMBL8939782 0.60 TYR (0.39) TAAR1CYP2D6TSHRADRA2CKMT2A
SCHEMBL2468067 0.60 TYR (0.39) TAAR1CYP2D6TSHRADRA2CKMT2A

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-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TAAR1 347/4885SLC18A2 1159/4885SIGMAR1 269/4885

“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.