SCHEMBL6779608

SCHEMBL6779608

O=C(NC[C@@H]1CC[C@H](Cc2ccccc2)CN1)Nc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CCR3 P51677 9/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNJ6 P48051 2/20 0.46
KCNJ5 P48544 2/20 0.46
KCNJ3 P48549 2/20 0.46
LMNA P02545 1/20 0.44
HTR2A P28223 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6775254 1.00 KMT2A (0.48) KMT2APOLBALDH1A1CCR3SLC6A2
SCHEMBL6774615 0.94 CCR3 (0.51) KMT2APOLBCCR3SLC6A2SLC6A4
SCHEMBL6774937 0.94 CCR3 (0.51) KMT2APOLBCCR3SLC6A2SLC6A4
SCHEMBL6773866 0.89 EPHX1 (0.53) POLBALDH1A1CCR3SLC6A2SLC6A4
SCHEMBL6773246 0.89 EPHX1 (0.53) POLBALDH1A1CCR3SLC6A2SLC6A4
SCHEMBL6774792 0.89 CCR3 (0.55) KMT2APOLBALDH1A1CCR3SLC6A2
SCHEMBL6773109 0.89 CCR3 (0.55) KMT2APOLBALDH1A1CCR3SLC6A2
SCHEMBL6769109 0.89 CCR3 (0.50) KMT2APOLBALDH1A1CCR3KCNJ6
SCHEMBL6768909 0.89 CCR3 (0.50) KMT2APOLBALDH1A1CCR3KCNJ6
SCHEMBL6768873 0.88 POLB (0.63) KMT2APOLBALDH1A1CCR3SLC6A2

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 KMT2A 4068/4885POLB 3050/4885ALDH1A1 1233/4885

“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.