SCHEMBL2215150

SCHEMBL2215150

CCc1c(C(=O)O)c(C)n(C)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL12441053 0.81 CYP1A2 (0.47) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL4491009 0.80 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL2214969 0.79 CYP1A2 (0.45) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL10463889 0.77 CYP2C19 (0.44) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL2215559 0.76 ATM (0.48) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL10462636 0.75 CYP2C19 (0.42) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL9331349 0.74 CYP2C19 (0.44) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL10462127 0.74 CYP2C19 (0.41) ALDH1A1HPGDPOLBKDM4ECYP1A2
SCHEMBL8386241 0.72 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ECYP2C19SMN1; SMN2
SCHEMBL9331283 0.72 CYP2C19 (0.42) ALDH1A1HPGDPOLBKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R ALDH1A1 464/4885HPGD 646/4885POLB 3867/4885

“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.