SCHEMBL2907484

SCHEMBL2907484

COc1cc2ccc(C)nc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
RAB9A P51151 1/20 0.45
CCR5 P51681 1/20 0.45
MAOA P21397 2/20 0.45
KDM4E B2RXH2 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL27545732 0.80 MAOA (0.44) MAOAKDM4ECA12CA1CA7
SCHEMBL15886690 0.78 CCR1 (0.50) CCR1RAB9ACCR5KDM4EALDH1A1
SCHEMBL2907743 0.77 MAOA (0.41) MAOAKDM4ECA12CA1CA7
SCHEMBL9352273 0.76 TUBB4A (0.46) RAB9AMAOAKDM4ECA12CA1
SCHEMBL2902636 0.76 CCR1 (0.48) CCR1RAB9AMAOAKDM4ECA12
SCHEMBL13737587 0.76 RAB9A (0.52) CCR1RAB9ACCR5KDM4ENFKBIA
SCHEMBL13738009 0.76 CCR1 (0.46) CCR1RAB9ACCR5MAPTNFKBIA
SCHEMBL9162714 0.75 MAOA (0.42) MAOAKDM4ECA12CA1CA7
SCHEMBL13210633 0.75 RAB9A (0.38) CCR1RAB9ACCR5KDM4EMAPT
SCHEMBL13458731 0.75 CCR1 (0.56) CCR1RAB9ACCR5MAPTNFKBIA

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
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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 (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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 CCR1 5/4885RAB9A 3447/4885CCR5 64/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 CCR1 5/4885RAB9A 3447/4885CCR5 64/4885

“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.