SCHEMBL4498217

SCHEMBL4498217

O=C(O)C1CNCC(N(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
TACR1 P25103 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SLC6A9 P48067 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4498225 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TACR1CYP1A2
SCHEMBL1913236 0.79 CHRM1 (0.45) SLC6A2SLC6A4SLC6A3TACR1CYP1A2
SCHEMBL4495643 0.77 RXFP1 (0.48) GRM2GRM3TAAR1TP53POLB
SCHEMBL4495638 0.77 RXFP1 (0.48) GRM2GRM3TAAR1TP53POLB
SCHEMBL3709552 0.71 MEN1 (0.47) SLC6A2SLC6A4SLC6A3POLBS1PR1
SCHEMBL21276258 0.71 TACR1 (0.47) SLC6A2SLC6A4SLC6A3TACR1CYP1A2
SCHEMBL30229698 0.70 RIPK1 (0.43) TACR1GRM2GRM3TAAR1TP53
SCHEMBL30305700 0.70 RIPK1 (0.43) TACR1GRM2GRM3TAAR1TP53
SCHEMBL1536135 0.67 MEN1 (0.51) SLC6A2SLC6A4POLBALDH1A1DPP8
SCHEMBL5762010 0.67 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3TACR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 SLC6A2 449/4885SLC6A4 586/4885SLC6A3 268/4885

“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.