SCHEMBL5501016

SCHEMBL5501016

COc1ccc(N(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 1/20 0.40
CCR5 P51681 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
ACHE P22303 2/20 0.38

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
Hydrochloric Acid SCHEMBL4116966 0.99 CHRM2 (0.40) CHRM2CHRM3CYP3A4CCR5DRD2
SCHEMBL13800844 0.96 CHRM2 (0.38) CHRM2CHRM3CYP3A4CCR5DRD2
SCHEMBL13800827 0.96 HCRTR1 (0.45) CHRM2CHRM3CYP3A4CCR5DRD2
SCHEMBL13800842 0.96 CHRM2 (0.38) CHRM2CHRM3CYP3A4CCR5DRD2
SCHEMBL13800825 0.96 HCRTR1 (0.45) CHRM2CHRM3CYP3A4CCR5DRD2
Hydrochloric Acid SCHEMBL6184742 0.95 CHRM2 (0.38) CHRM2CHRM3CYP3A4CCR5DRD2
SCHEMBL13800834 0.95 WNK1 (0.43) CHRM2CHRM3CYP3A4DRD2DRD4
SCHEMBL13800882 0.95 CCNT1 (0.40) CHRM2CHRM3CYP3A4CCR5DRD2
SCHEMBL6166365 0.95 DRD4 (0.45) CHRM2CHRM3CYP3A4DRD2DRD4
Hydrochloric Acid SCHEMBL7225266 0.95 CHRM2 (0.38) CHRM2CHRM3CYP3A4CCR5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043078-A1 Angiogenesis inhibitor KOWA CO., LTD. (JP) 2007-02-22 US claimed
EP-1674100-A1 ANGIOGENESIS INHIBITOR Kowa Co., Ltd. (JP) 2006-06-28 EP claimed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US claimed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP claimed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO claimed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KOWA CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KOWA CO., LTD. (JP) 2009-02-12 US disclosed
US-20070043078-A1 Angiogenesis inhibitor KOWA CO., LTD. (JP) 2007-02-22 US disclosed
EP-1674100-A1 ANGIOGENESIS INHIBITOR Kowa Co., Ltd. (JP) 2006-06-28 EP disclosed
US-20050025979-A1 Multilayer; containing hot melt adhesives ; heat sealable laminate with ink or graphic layer on flexible substrate SANDT RICHARD L (US) 2005-02-03 US disclosed
US-4722835-A STABLE; PROCESSED AT LOWER TEMPERATURES AMERICAN CYANAMID COMPANY (US) 1988-02-02 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 (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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 CHRM2 1300/4885CHRM3 1030/4885CYP3A4 1615/4885
US-20070043078-A1 Angiogenesis inhibitor FLT4, FLT1, KDR CHRM2 2042/4885CHRM3 2319/4885CYP3A4 1362/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 CHRM2 2158/4885CHRM3 2302/4885CYP3A4 3032/4885
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KRT18, FGF1, AREG CHRM2 3470/4885CHRM3 3474/4885CYP3A4 4858/4885

“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.