SCHEMBL3788196

SCHEMBL3788196

O=C1CCCC1(CCc1ccccn1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KCNA5 P22460 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNA3 P22001 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1044264 0.84 L3MBTL1 (0.42) POLBCYP1A2CYP2C19TDP1HPGD
SCHEMBL3776600 0.78 DDB1 (0.46) DDB1CRBNALDH1A1CYP3A4CYP2C9
SCHEMBL3789659 0.78 DDB1 (0.46) DDB1CRBNSMN1; SMN2
SCHEMBL3787741 0.76 CYP17A1 (0.47) DDB1CRBNALDH1A1TDP1LMNA
SCHEMBL27629140 0.76 MEN1 (0.49) KCNA3POLBALDH1A1CYP3A4CYP2C19
SCHEMBL3787665 0.75 KCNA5 (0.42) KCNA5KCNK3KCNA3POLBALDH1A1
SCHEMBL3696556 0.74 DDB1 (0.49) DDB1CRBN
SCHEMBL10801425 0.73 DDB1 (0.41) DDB1CRBNALDH1A1CYP3A4CYP2C19
SCHEMBL18440292 0.73 TACR1 (0.44) POLBCYP3A4CYP2C9CYP2C19TSHR
Amicibone SCHEMBL1643546 0.72 MAPK1 (0.46) DDB1CRBNALDH1A1SMN1; SMN2NPC1

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-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R DDB1 4038/4885CRBN 764/4885KCNA5 1162/4885

“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.