SCHEMBL4176435

SCHEMBL4176435

Cc1cc(-c2cc(=O)c3cccnc3o2)cc(C)c1OC(C)C1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 9/20 0.35
▸ SLC6A4 P31645 9/20 0.35
▸ SLC6A3 Q01959 8/20 0.35
▸ SYK P43405 3/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ SSTR4 P31391 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL4176421 0.81 MKNK1 (0.37) SLC6A2SLC6A4SLC6A3SIGMAR1SSTR4
SCHEMBL1645779 0.70 FTO (0.45) KDM4EMEN1ALDH1A1CYP3A4MAPK1
SCHEMBL4183865 0.70 BRD4 (0.38) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL1644057 0.69 HIF1A (0.43) KDM4EALDH1A1KMT2A
SCHEMBL1644005 0.68 BCHE (0.49) SYKSIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL1644971 0.67 KDM4E (0.51) KDM4EMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL1644899 0.66 MAOB (0.60) KCNH2KDM4EALDH1A1CYP3A4MAPK1
SCHEMBL311467 0.66 KDM4E (0.48) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL31675950 0.64 SYK (0.49) SYK
SCHEMBL1644987 0.64 CYP1B1 (0.63) KDM4EALDH1A1CYP3A4CYP2D6CYP2C9

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-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 — — US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 — — 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-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 SLC6A2 1466/4885SLC6A4 2975/4885SLC6A3 1704/4885

“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.

Send feedback