SCHEMBL5777429

SCHEMBL5777429

COc1ccc2nccc([C@@H](O)CN3CCC(N)CC3)c2c1.CS(=O)(=O)O

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.62
KCNH2 Q12809 1/20 0.59
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 2/20 0.49
PMP22 Q01453 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL5256391 0.94 SLC2A1 (0.63) SLC2A1KCNH2KDM4EALDH1A1MEN1
SCHEMBL5256396 0.94 SLC2A1 (0.63) SLC2A1KCNH2KDM4EALDH1A1MEN1
SCHEMBL4269291 0.94 SLC2A1 (0.63) SLC2A1KCNH2KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL5411589 0.93 SLC2A1 (0.62) SLC2A1KCNH2KDM4EALDH1A1MEN1
Oxalic Acid SCHEMBL5253830 0.91 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL3253390 0.83 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL3253648 0.83 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL3252865 0.83 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL5657314 0.83 SLC2A1 (0.55) SLC2A1KCNH2KDM4EALDH1A1MEN1
SCHEMBL5656739 0.83 SLC2A1 (0.55) SLC2A1KCNH2KDM4EALDH1A1MEN1

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
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 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-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 SLC2A1 3639/4885KCNH2 1010/4885KDM4E 2544/4885

“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.