SCHEMBL6701940

SCHEMBL6701940

O=C(Nc1ccc2[nH]ncc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 15/20 1.00
ROCK2 O75116 3/20 0.63
ROCK1 Q13464 3/20 0.63
GRIN2B Q13224 1/20 0.57
CCR2 P41597 2/20 0.57

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
SCHEMBL6702253 0.93 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2B
SCHEMBL6702434 0.89 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL6703041 0.89 CCR3 (0.88) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL4579336 0.83 CCR3 (0.74) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL6702373 0.82 CCR3 (1.00) CCR3ROCK2ROCK1GRIN2B
SCHEMBL6703659 0.82 CCR3 (1.00) CCR3
SCHEMBL5419708 0.80 ROCK2 (0.75) CCR3ROCK2ROCK1GRIN2BCCR2
SCHEMBL6698192 0.79 CCR3 (0.77) CCR3
SCHEMBL2571386 0.78 ROCK2 (1.00) CCR3ROCK2ROCK1CCR2
SCHEMBL6700148 0.77 CCR3 (1.00) CCR3

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 11 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
EP-1140087-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO 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
EP-1140087-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP disclosed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (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.