SCHEMBL6705097

SCHEMBL6705097

O=C(Nc1cccc(CN2CCC(Cc3ccccc3)CC2)c1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 1.00
KMT2A Q03164 2/20 0.74
DRD2 P14416 1/20 0.74
DRD4 P21917 1/20 0.74
DRD3 P35462 1/20 0.74
DCUN1D1 Q96GG9 9/20 0.73
ALDH1A1 P00352 1/20 0.73
POLB P06746 1/20 0.73
UBE2M P61081 7/20 0.69
F10 P00742 1/20 0.68
HPN P05981 1/20 0.68
PRSS1 P07477 1/20 0.68
PRSS2 P07478 1/20 0.68
PRSS3 P35030 1/20 0.68
HGFAC Q04756 1/20 0.68
ST14 Q9Y5Y6 1/20 0.68
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SIGMAR1 Q99720 2/20 0.62

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
SCHEMBL31499157 0.87 CCR3 (0.77) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL18640231 0.87 CCR3 (0.77) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL9078087 0.86 DRD4 (1.00) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL18657526 0.85 KMT2A (0.80) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL18657854 0.84 KMT2A (0.78) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL12677054 0.84 KMT2A (1.00) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL18658004 0.84 DCUN1D1 (1.00) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL7495048 0.84 CCR3 (0.72) CCR3KMT2AALDH1A1HTT
SCHEMBL18658206 0.83 F10 (0.79) CCR3KMT2ADRD2DRD4DRD3
SCHEMBL6220249 0.83 CCR3 (1.00) CCR3KMT2ADRD2DRD4DRD3

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-20040006107-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-01-08 US claimed
US-6492400-B1 SUCH AS N-(2,5-DIFLUOROPHENYL)-N'-(2-((4-(PHENYLMETHYL)-1 -PIPERIDINYL)METHYL)PHENYL)UREA; PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 US claimed
US-6780857-B2 FOR TREATMENT AND PREVENTION OF INFLAMMATORY DISEASES SUCH AS ASTHMA AND ALLERGIC DISEASES, AS WELL AS AUTOIMMUNE PATHOLOGIES SUCH AS RHEUMATOID ARTHRITIS AND ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-24 US disclosed
US-20040006107-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-01-08 US disclosed
US-6492400-B1 SUCH AS N-(2,5-DIFLUOROPHENYL)-N'-(2-((4-(PHENYLMETHYL)-1 -PIPERIDINYL)METHYL)PHENYL)UREA; PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 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-20040006107-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 CCR3 1/4885KMT2A 4287/4885DRD2 1266/4885

“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.