SCHEMBL4797702

SCHEMBL4797702

CCCN(C)CC#C[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.55
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
PTBP1 P26599 1/20 0.43
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.39
CCR1 P32246 1/20 0.39
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
JAK1 P23458 1/20 0.38
GAA P10253 2/20 0.37
NPY5R Q15761 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL4797696 1.00 LSS (0.55) LSSALDH1A1LMNAPTBP1TSHR
SCHEMBL27581072 0.90 LSS (0.48) LSSALDH1A1LMNAPTBP1TSHR
SCHEMBL4805237 0.85 LSS (0.57) LSSALDH1A1LMNAPTBP1TSHR
SCHEMBL4805242 0.85 LSS (0.57) LSSALDH1A1LMNAPTBP1TSHR
SCHEMBL4801608 0.84 LSS (0.57) LSSALDH1A1NPC1KMT2AJAK1
SCHEMBL4801605 0.84 LSS (0.57) LSSALDH1A1NPC1KMT2AJAK1
SCHEMBL4804555 0.81 LSS (0.80) LSSLMNA
SCHEMBL4804545 0.81 LSS (0.80) LSSLMNA
SCHEMBL27581073 0.78 LSS (0.42) LSSALDH1A1LMNAPTBP1TSHR
SCHEMBL7209103 0.76 LSS (0.46) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
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
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 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 (2 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 LSS 2/4885ALDH1A1 2260/4885LMNA 2735/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ALDH1A1 2260/4885LMNA 2735/4885

“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.