SCHEMBL3274039

SCHEMBL3274039

CN(C)CCB(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTR2A P28223 3/20 0.36
HRH1 P35367 3/20 0.36
LYPLA1 O75608 1/20 0.36
LYPLA2 O95372 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL3274671 0.75 TAAR1 (0.38) TAAR1HTR2AHRH1SIGMAR1MAPT
SCHEMBL17698458 0.75 LYPLA1 (0.64) TAAR1HTR2AHRH1LYPLA1LYPLA2
SCHEMBL3274036 0.66 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL3275714 0.63 TRPV6 (0.70)
SCHEMBL7565830 0.62 CHRM2 (0.53) TAAR1HTR2AHRH1CYP2D6OPRM1
SCHEMBL6663731 0.62 PCSK9 (0.63) SIGMAR1SMN1; SMN2HTTLTA4HMAPK1
SCHEMBL164552 0.62 TAAR1 (0.60) TAAR1SIGMAR1KCNH2
Trimethylammonium SCHEMBL27796925 0.61 ALDH1A1 (0.47) TAAR1MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9013795 0.61 CYP1A2 (0.46) TAAR1HTR2AHRH1CYP2D6ALDH1A1
SCHEMBL2407730 0.60 HTR7 (0.44) TAAR1HTR2AHRH1LYPLA1LYPLA2

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-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US 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 347/4885HTR2A 3362/4885HRH1 661/4885

“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.