SCHEMBL4805015

SCHEMBL4805015

CN(C)CCCCOC1CC[CH]CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LSS P48449 2/20 0.38
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.33
HTR1B P28222 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DNM1 Q05193 3/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5004340 0.88 RET (0.37) LSS
SCHEMBL7203862 0.81 GBA1 (0.40) ALDH1A1LSSHRH3HTR1BDNM1
SCHEMBL11025643 0.80 SIGMAR1 (0.47) KDM4EALDH1A1TSHRSIGMAR1HRH3
SCHEMBL27596348 0.79 LSS (0.53) LSS
SCHEMBL6448975 0.78 ALDH1A1 (0.39) KDM4EALDH1A1LSSTSHRSIGMAR1
SCHEMBL8642669 0.78 GBA1 (0.45) ALDH1A1TSHR
SCHEMBL4431588 0.78 GBA1 (0.41) ALDH1A1TSHRSMN1; SMN2
SCHEMBL27579922 0.77 LSS (0.55) LSS
SCHEMBL8644516 0.76 GBA1 (0.48) ALDH1A1TSHR
SCHEMBL8646640 0.76 GBA1 (0.48) ALDH1A1TSHR

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-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 KDM4E 4198/4885ALDH1A1 2260/4885LSS 2/4885

“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.