SCHEMBL6772544

SCHEMBL6772544

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
CNR1 P21554 3/20 0.55
POLB P06746 1/20 0.54
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
CCR3 P51677 3/20 0.44

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
SCHEMBL6774539 1.00 RAB9A (0.56) RAB9ANPC1CNR1POLBTP53
SCHEMBL6774304 0.95 CCR3 (0.47) RAB9ANPC1CNR1POLBCCR3
SCHEMBL6780143 0.95 CCR3 (0.47) RAB9ANPC1CNR1POLBCCR3
SCHEMBL6769109 0.89 CCR3 (0.50) RAB9ANPC1POLBCCR3
SCHEMBL6768909 0.89 CCR3 (0.50) RAB9ANPC1POLBCCR3
SCHEMBL6773109 0.89 CCR3 (0.55) RAB9ANPC1POLBCCR3
SCHEMBL6774792 0.89 CCR3 (0.55) RAB9ANPC1POLBCCR3
SCHEMBL6774830 0.89 NPC1 (0.58) RAB9ANPC1CNR1POLBTP53
SCHEMBL6897754 0.89 NPC1 (0.58) RAB9ANPC1CNR1POLBTP53
SCHEMBL7659127 0.89 NPC1 (0.58) RAB9ANPC1CNR1POLBTP53

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 RAB9A 1427/4885NPC1 938/4885CNR1 43/4885

“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.