SCHEMBL510355

SCHEMBL510355

COC(=O)CC(=O)c1nccc(N2CCN(C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.49
HRH3 Q9Y5N1 5/20 0.49
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 4/20 0.48
USP2 O75604 4/20 0.48
CYP2C19 P33261 3/20 0.48
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL509702 0.88 CXCR4 (0.45) HRH4HRH3ALDH1A1TSHRSORD
SCHEMBL509880 0.88 HRH3 (0.41) HRH4HRH3ALDH1A1KDM4ESORD
SCHEMBL509389 0.86 PIK3CA (0.47) ALDH1A1CYP1A2USP2CYP2C19HSD17B10
SCHEMBL510428 0.84 HRH4 (0.40) HRH4SORD
SCHEMBL10211810 0.81 HRH4 (0.50) HRH4HRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL509692 0.79 SORD (0.59) HRH4HRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL2370510 0.73 WNT1 (0.50) HRH4HRH3ALDH1A1USP2HSD17B10
SCHEMBL3406277 0.72 MTNR1A (0.45) ALDH1A1KDM4ETSHRTDP1MEN1
SCHEMBL31704767 0.71 CKS1B (0.49) HRH4HRH3ALDH1A1HSD17B10KDM4E
SCHEMBL31706298 0.69 HRH3 (0.52) HRH4HRH3CYP1A2HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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 (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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR HRH4 744/4885HRH3 1206/4885ALDH1A1 119/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 HRH4 1025/4885HRH3 1190/4885ALDH1A1 609/4885

“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.