SCHEMBL91289

SCHEMBL91289

CCc1cn(CCCOC)c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICMT O60725 14/20 0.55
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GSK3B P49841 1/20 0.42
KCNH2 Q12809 1/20 0.41
REN P00797 1/20 0.39

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
SCHEMBL91271 0.89 ICMT (0.54) ICMTCNR1CNR2KDM4EALDH1A1
SCHEMBL13131397 0.85 REN (0.51) ICMTCNR1CNR2REN
SCHEMBL10183129 0.84 KCNH2 (0.47) ICMTCNR1CNR2KCNH2REN
SCHEMBL13131399 0.84 IDO1 (0.47) ICMTCNR1CNR2ALDH1A1GSK3B
SCHEMBL13131394 0.84 HTR6 (0.55) ICMTKDM4EALDH1A1
SCHEMBL4602810 0.83 ICMT (0.44) ICMTCNR1CNR2KDM4EALDH1A1
SCHEMBL13131406 0.83 GSK3B (0.40) ICMTCNR1CNR2ALDH1A1GSK3B
SCHEMBL4602804 0.82 ICMT (0.43) ICMTCNR1CNR2KDM4EALDH1A1
SCHEMBL8241203 0.82 ALDH1A1 (0.58) KDM4EALDH1A1
SCHEMBL1073774 0.81 ICMT (0.44) ICMTCNR1CNR2KDM4EALDH1A1

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-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ICMT 1604/4885CNR1 520/4885CNR2 612/4885

“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.