SCHEMBL6773246

SCHEMBL6773246

O=C(NC[C@@H]1CC[C@@H](Cc2ccccc2)CN1)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CCR3 P51677 8/20 0.51
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
FAAH O00519 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 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
SCHEMBL6773866 1.00 EPHX1 (0.53) EPHX1CCR3BRD4ALDH1A1KDM4E
SCHEMBL6768909 0.92 CCR3 (0.50) EPHX1CCR3ALDH1A1NPC1RAB9A
SCHEMBL6773109 0.92 CCR3 (0.55) EPHX1CCR3BRD4ALDH1A1SLC6A2
SCHEMBL7659127 0.92 NPC1 (0.58) EPHX1CCR3NPC1RAB9APOLB
SCHEMBL6897754 0.92 NPC1 (0.58) EPHX1CCR3NPC1RAB9APOLB
SCHEMBL6774830 0.92 NPC1 (0.58) EPHX1CCR3NPC1RAB9APOLB
SCHEMBL6774792 0.92 CCR3 (0.55) EPHX1CCR3BRD4ALDH1A1SLC6A2
SCHEMBL6769109 0.92 CCR3 (0.50) EPHX1CCR3ALDH1A1NPC1RAB9A
SCHEMBL6775254 0.89 KMT2A (0.48) CCR3ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6768873 0.89 POLB (0.63) EPHX1CCR3ALDH1A1KDM4ESLC6A2

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 2 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

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 EPHX1 1111/4885CCR3 1/4885BRD4 397/4885

“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.