SCHEMBL4514607

SCHEMBL4514607

CC(=O)NCCC(=O)Nc1cccc2[nH]c(NC(Cc3cccc4ccccc34)C3CCNCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 2/20 0.34
HTR6 P50406 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL4514599 0.76 ACHE (0.40) KMT2AMEN1POLBLMNA
SCHEMBL4493813 0.76 ALDH1A1 (0.37) KMT2AMEN1HTR6MAPTALDH1A1
SCHEMBL4502366 0.75 SLC6A2 (0.40) MAPTKDM4E
SCHEMBL4497491 0.72 AKR1C3 (0.38) KMT2AMEN1MAPT
SCHEMBL4509585 0.71 SMN1; SMN2 (0.37) KMT2AMEN1NPC1MAPTLMNA
SCHEMBL4505054 0.71 SMYD3 (0.37) KMT2AMEN1NPC1MAPT
SCHEMBL4516533 0.71 ABL1 (0.38)
SCHEMBL4496677 0.70 SLC6A4 (0.34) KMT2AMEN1HTR6MAPT
SCHEMBL4507517 0.69 ADRB2 (0.34)
SCHEMBL4494905 0.69 MAPK10 (0.40) NPC1CYP1A2CYP2C19

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-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 KMT2A 3261/4885MEN1 3556/4885POLB 3628/4885

“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.