SCHEMBL1039922

SCHEMBL1039922

COCC(C)COCc1ccc(C2(O)CCN(Cc3ccccc3)C(C)C2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.36
HTT P42858 1/20 0.36
NPY2R P49146 1/20 0.36
REN P00797 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRM3 P20309 3/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1039923 1.00 NPY1R (0.36) NPY1RHTTNPY2RRENKCNH2
SCHEMBL1040623 0.79 ALDH1A1 (0.40) RENKCNH2CYP3A4MEN1MAPT
SCHEMBL1039921 0.79 ALDH1A1 (0.40) RENKCNH2CYP3A4MEN1MAPT
SCHEMBL556327 0.79 ALDH1A1 (0.40) RENKCNH2CYP3A4MEN1MAPT
SCHEMBL1040629 0.75 MAPT (0.33) RENKDM4EMEN1MAPTKMT2A
SCHEMBL1040630 0.75 MAPT (0.33) RENKDM4EMEN1MAPTKMT2A
SCHEMBL557038 0.74 ALDH1A1 (0.45) RENKCNH2CYP3A4MEN1MAPT
SCHEMBL534021 0.67 ALDH1A1 (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL556532 0.66 REN (0.37) RENKCNH2CYP3A4MEN1MAPT
SCHEMBL7863791 0.66 TSHR (0.52) HTTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 NPY1R 917/4885HTT 4034/4885NPY2R 1269/4885

“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.