SCHEMBL5104471

SCHEMBL5104471

CC1(O)CCN(C(=O)O)C(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 2/20 0.38
ALDH1A1 P00352 4/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL25385984 0.88 CHIT1 (0.47) HPGDHSD11B1
SCHEMBL28474415 0.85 ABCB1 (0.42) ABCB1ABHD6DAGLAMC4RMC3R
SCHEMBL28480369 0.82 KMT2A (0.46) LMNAHPGDKMT2AMEN1RECQL
SCHEMBL1784096 0.79 ABCB1 (0.37) ABCB1ABHD6DAGLAMC4RMC3R
SCHEMBL23458987 0.78 ALDH1A1 (0.42) ABCB1ALDH1A1TMEM97SIGMAR1LMNA
SCHEMBL23458984 0.78 ALDH1A1 (0.42) ABCB1ALDH1A1TMEM97SIGMAR1LMNA
SCHEMBL28856820 0.77 ABCB1 (0.48) ABCB1MC4RMC3RMC1RALDH1A1
SCHEMBL2801721 0.76 AVPR1A (0.39) ABCB1ABHD6DAGLAMC4RMC3R
SCHEMBL18862950 0.76 HSD11B1 (0.48) ABCB1ABHD6DAGLAMC4RMC3R
SCHEMBL18862951 0.76 HSD11B1 (0.48) ABCB1ABHD6DAGLAMC4RMC3R

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-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 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 (2 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-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ABCB1 867/4885ABHD6 2283/4885DAGLA 4453/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ABCB1 867/4885ABHD6 2283/4885DAGLA 4453/4885

“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.