SCHEMBL5222693

SCHEMBL5222693

CCn1nnc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
TSHR P16473 1/20 0.56
NPC1 O15118 7/20 0.55
TP53 P04637 3/20 0.55
PKM P14618 1/20 0.52
HSD17B10 Q99714 3/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KDM4A O75164 1/20 0.51
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL20064244 0.76 RAB9A (0.58) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL5754054 0.76 RAB9A (0.56) RAB9ASMN1; SMN2TSHRNPC1TP53
SCHEMBL7244914 0.72 ALDH1A1 (0.56) RAB9ASMN1; SMN2TP53HTTALDH1A1
SCHEMBL31219442 0.72 RAB9A (0.73) RAB9ASMN1; SMN2TSHRNPC1TP53
SCHEMBL31219441 0.72 RAB9A (0.73) RAB9ASMN1; SMN2TSHRNPC1TP53
SCHEMBL29253954 0.70 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL896911 0.70 GAA (0.60) SMN1; SMN2TP53HTTALDH1A1CYP1A2
SCHEMBL27456552 0.69 ALDH1A1 (0.54) RAB9ANPC1TP53PKMALDH1A1
SCHEMBL5334461 0.69 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL27545158 0.69 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1TP53PKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US disclosed
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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 (2 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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 RAB9A 608/4885SMN1; SMN2 1964/4885TSHR 890/4885
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 RAB9A 814/4885SMN1; SMN2 2678/4885TSHR 1308/4885

“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.