SCHEMBL5956436

SCHEMBL5956436

Cc1ccnc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
AHR P35869 1/20 0.52
MAPT P10636 7/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
HCRTR1 O43613 1/20 0.51
LRRK2 Q5S007 1/20 0.50
HDAC1 Q13547 2/20 0.48
KDM1A O60341 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 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
SCHEMBL14082398 0.83 RAB9A (0.69) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL24307603 0.82 AHR (0.45) AHRMAPTKDM4EALDH1A1RAB9A
SCHEMBL15344111 0.82 PIK3CA (0.53) CCR1CCR5CCR8MAPTKDM4E
SCHEMBL25941110 0.81 RAD52 (0.50) CCR1CCR5CCR8MAPTKDM4E
SCHEMBL27344644 0.79 CCR1 (0.76) CCR1CCR5CCR8KDM4ERAB9A
SCHEMBL31695263 0.79 CCR1 (0.76) CCR1CCR5CCR8KDM4ERAB9A
SCHEMBL27515390 0.78 JAK2 (0.56) AHRMAPTKDM4EALDH1A1RAB9A
SCHEMBL29932837 0.77 JAK2 (0.60) MAPTLMNALRRK2HDAC1KDM1A
SCHEMBL14906586 0.77 CBFB (0.66) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL827848 0.77 PIK3CA (0.58) CCR1CCR5CCR8MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US disclosed
EP-1539748-A1 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-15 EP disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US disclosed
WO-2004013135-A1 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 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 (4 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK CCR1 1244/4885CCR5 327/4885CCR8 1108/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 CCR1 1604/4885CCR5 1024/4885CCR8 1842/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 CCR1 1707/4885CCR5 263/4885CCR8 2319/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 CCR1 1267/4885CCR5 669/4885CCR8 1833/4885

“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.