SCHEMBL6703041

SCHEMBL6703041

O=C(Nc1ccc2[nH]ncc2c1)Nc1cc2c(cc1CN1CCC(Cc3ccccc3)CC1)OCO2

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.88
ROCK2 O75116 4/20 0.59
ROCK1 Q13464 4/20 0.59
CCR2 P41597 2/20 0.55
GRIN2B Q13224 3/20 0.53
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6702373 0.94 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2BHPGD
SCHEMBL6701940 0.89 CCR3 (1.00) CCR3ROCK2ROCK1CCR2GRIN2B
SCHEMBL6702434 0.86 CCR3 (1.00) CCR3ROCK2ROCK1CCR2GRIN2B
SCHEMBL6702253 0.82 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2B
SCHEMBL6704610 0.81 CCR3 (0.73) CCR3HPGDNPSR1
SCHEMBL4579336 0.80 CCR3 (0.74) CCR3ROCK2ROCK1CCR2GRIN2B
SCHEMBL6704923 0.80 CCR3 (0.67) CCR3HPGDNPSR1
SCHEMBL6703876 0.79 CCR3 (1.00) CCR3
SCHEMBL6698192 0.79 CCR3 (0.77) CCR3
SCHEMBL6704612 0.78 CCR3 (0.71) CCR3HPGDNPSR1

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 1/4885ROCK2 4005/4885ROCK1 3460/4885

“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.