SCHEMBL5522771

SCHEMBL5522771

CCOC(=O)[C@H]1CC[C@@H](Cc2ccc(OC)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
OPRM1 P35372 3/20 0.52
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.46

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
SCHEMBL5532680 1.00 MEN1 (0.53) MEN1KMT2AGAANPC1RAB9A
SCHEMBL5523736 0.84 L3MBTL1 (0.59) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL5523733 0.84 L3MBTL1 (0.59) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL664380 0.83 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11457462 0.82 TAS2R14 (0.53) MEN1KMT2AGAASMN1; SMN2OPRM1
SCHEMBL622656 0.80 IDO1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL8191635 0.79 FABP7 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL8502974 0.79 FABP7 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL6988354 0.78 KDM4E (0.74) MEN1KMT2AGAANPC1RAB9A
Ammonia Solution, Strong SCHEMBL8172708 0.78 IDO1 (0.48) MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A MEN1 3887/4885KMT2A 1221/4885GAA 1161/4885

“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.