SCHEMBL4148304

SCHEMBL4148304

CCCOc1ccc2c(c1)CN(C(C)C)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
ACACB O00763 2/20 0.33
KMT2A Q03164 1/20 0.33
PTGER4 P35408 2/20 0.32
PTPN11 Q06124 1/20 0.32
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SRD5A2 P31213 1/20 0.31

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
SCHEMBL4148306 1.00 HRH3 (0.34) HRH3ACACBKMT2APTGER4PTPN11
SCHEMBL4159480 0.94 MTNR1A (0.35) PRKCAMMP12CNR1CNR2ALDH1A1
SCHEMBL4159482 0.94 MTNR1A (0.35) PRKCAMMP12CNR1CNR2ALDH1A1
SCHEMBL4143052 0.90 KMT2A (0.34) KMT2APTPN11PRKCAMMP12ALDH1A1
SCHEMBL4143053 0.90 KMT2A (0.34) KMT2APTPN11PRKCAMMP12ALDH1A1
SCHEMBL4148776 0.90 KCNH2 (0.36)
SCHEMBL4148779 0.90 KCNH2 (0.36)
SCHEMBL4143938 0.90 HRH3 (0.41) HRH3POLB
SCHEMBL4143934 0.90 HRH3 (0.41) HRH3POLB
SCHEMBL4152580 0.88 ALDH1A1 (0.37) HRH3ALDH1A1POLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 HRH3 811/4885ACACB 1880/4885KMT2A 3385/4885

“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.