SCHEMBL12441122

SCHEMBL12441122

CCOC(=O)c1cc(-c2ccccc2)n(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GLA P06280 1/20 0.50
JMJD6 Q6NYC1 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 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
SCHEMBL16415409 0.82 TSHR (0.46) NPSR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL11329850 0.81 NPSR1 (0.54) NPSR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL11324500 0.80 NPSR1 (0.53) NPSR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL10938253 0.80 RAB9A (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AJMJD6
SCHEMBL23320081 0.79 KMT2A (0.47) NPSR1ALDH1A1HPGDTSHRMEN1
SCHEMBL28560069 0.78 CNR2 (0.45) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6208075 0.77 CA12 (0.58) NPSR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL7677910 0.76 CA12 (0.52) NPSR1ALDH1A1HPGDKMT2AJMJD6
SCHEMBL1156322 0.76 NOD2 (0.50) NPSR1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL1156647 0.76 ALDH1A1 (0.46) NPSR1ALDH1A1SMN1; SMN2HPGDTSHR

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 5 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-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
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 NPSR1 127/4885ALDH1A1 464/4885SMN1; SMN2 3575/4885

“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.