SCHEMBL5605041

SCHEMBL5605041

O=C1CC[C@H](CCCCCCc2nnn[nH]2)[C@@H]1C(CCCc1ccccc1)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.32
TRPV1 Q8NER1 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRK1 P41145 3/20 0.31
OPRD1 P41143 2/20 0.31
ADRA2A P08913 1/20 0.31
AR P10275 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
GRIN2B Q13224 2/20 0.30

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
SCHEMBL7946133 0.79 MGLL (0.36) OPRM1OPRK1OPRD1
SCHEMBL5072194 0.74 PTGER2 (0.39)
SCHEMBL11711459 0.73 FAAH (0.33)
SCHEMBL11711444 0.73 PTGER2 (0.41)
SCHEMBL7886844 0.73 PTGER2 (0.41)
SCHEMBL11711753 0.70 PTGER4 (0.31)
SCHEMBL11711762 0.67 PTGER4 (0.50)
SCHEMBL11712446 0.66 PTGER1 (0.37)
SCHEMBL11719171 0.66 PTGER1 (0.37)
SCHEMBL7819517 0.64 DAO (0.50) HTR2A

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
US-7255984-B2 Combination therapy for osteoporosis PFIZER INC. (US) 2007-08-14 US disclosed
US-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist KE HUA ZHU (US) 2001-07-26 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-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist PTGER1, PTGER2, PTGER4 GPR84 100/4885TRPV1 468/4885OPRM1 146/4885

“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.