SCHEMBL747651

SCHEMBL747651

O=C(Cl)C(=O)N1CCCCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
AVPR2 P30518 8/20 0.61
AVPR1A P37288 6/20 0.61
NOTUM Q6P988 1/20 0.59
OXTR P30559 2/20 0.57
SIGMAR1 Q99720 1/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
HSD11B1 P28845 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL11551817 0.95 SMN1; SMN2 (0.81) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL9394780 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NOTUMSIGMAR1ALDH1A1MAPT
SCHEMBL4863174 0.87 SMN1; SMN2 (0.67) SMN1; SMN2AVPR2AVPR1ANOTUMOXTR
SCHEMBL30456228 0.81 SMN1; SMN2 (0.69) SMN1; SMN2AVPR2AVPR1ANOTUMOXTR
SCHEMBL30592391 0.81 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL330273 0.81 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL4865076 0.80 SMN1; SMN2 (0.67) SMN1; SMN2AVPR2AVPR1ANOTUMOXTR
SCHEMBL5423105 0.80 NOTUM (0.90) SMN1; SMN2AVPR2AVPR1ANOTUMOXTR
SCHEMBL11326409 0.80 SMN1; SMN2 (0.83) SMN1; SMN2NOTUMSIGMAR1HTTALDH1A1
SCHEMBL9559719 0.79 ALDH1A1 (0.62) SMN1; SMN2AVPR2AVPR1ANOTUMOXTR

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP SMN1; SMN2 4033/4885AVPR2 3983/4885AVPR1A 3992/4885

“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.