SCHEMBL4842545

SCHEMBL4842545

C=C[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ AOC3 Q16853 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NR1I2 O75469 1/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ BRD4 O60885 4/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6223610 0.75 PGR (0.45) TRPM8POLBBRD4TSHRALDH1A1
SCHEMBL29129627 0.74 LMNA (0.44) TRPM8LMNAPOLBNR1I2OPRD1
SCHEMBL29172976 0.73 ALDH1A1 (0.46) TRPM8LMNAOPRD1TSHRALDH1A1
SCHEMBL4845270 0.71 GAA (0.39) LMNAPOLBCYP2C19ALDH1A1
SCHEMBL1004360 0.71 MLYCD (0.62) OPRD1ALDH1A1
SCHEMBL8174284 0.71 ALDH1A1 (0.46) TRPM8LMNAAOC3ALDH1A1
SCHEMBL29173001 0.71 KMT2A (0.50) LMNATSHRALDH1A1
SCHEMBL9474075 0.71 TSHR (0.41) TRPM8LMNAPOLBOPRD1TSHR
SCHEMBL1003650 0.70 NAMPT (0.55) ALDH1A1
SCHEMBL23791942 0.69 HTR1A (0.46) TRPM8LMNAPOLBTSHRALDH1A1

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-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 — — US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 — — 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP TRPM8 4410/4885LMNA 2273/4885AOC3 2357/4885

“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.

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