SCHEMBL6774304

SCHEMBL6774304

O=C(NC[C@@H]1CC[C@@H](Cc2ccc(F)cc2)CN1)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
FPR2 P25090 1/20 0.46
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.44
CCR2 P41597 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL6780143 1.00 CCR3 (0.47) CCR3RAB9ANPC1SLC6A2SLC6A4
SCHEMBL6774539 0.95 RAB9A (0.56) CCR3RAB9ANPC1CNR1POLB
SCHEMBL6772544 0.95 RAB9A (0.56) CCR3RAB9ANPC1CNR1POLB
SCHEMBL6774792 0.94 CCR3 (0.55) CCR3RAB9ANPC1SLC6A2SLC6A4
SCHEMBL6773109 0.94 CCR3 (0.55) CCR3RAB9ANPC1SLC6A2SLC6A4
SCHEMBL6768909 0.94 CCR3 (0.50) CCR3RAB9ANPC1ALDH1A1POLB
SCHEMBL6769109 0.94 CCR3 (0.50) CCR3RAB9ANPC1ALDH1A1POLB
SCHEMBL6774937 0.89 CCR3 (0.51) CCR3SLC6A2SLC6A4SLC6A3POLB
SCHEMBL6774615 0.89 CCR3 (0.51) CCR3SLC6A2SLC6A4SLC6A3POLB
SCHEMBL7656304 0.89 CCR3 (0.53) CCR3SLC6A2SLC6A4SLC6A3FPR2

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-6706735-B2 NITROGEN COMPOUNDS SUCH AS N-(3-(4-BENZYL-2-PIPERIDINYL)PROPYL )-N'-(3-CYANOPHENYL)UREA, USED AS CHEMOTACTIC CYTOKINE CONTROLLERS ADMINISTERED FOR PROPHYLAXIS OF ASTHMA, ALLERGIES AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity WATSON PAUL S (US) 2003-07-31 US disclosed
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 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-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CCR3 1/4885RAB9A 1427/4885NPC1 938/4885

“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.