SCHEMBL4014071

SCHEMBL4014071

CC1CN(C(=O)c2oc3cc(OC4CCN(C5CCC5)CC4)c(Cl)cc3c2C(C)C)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34

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
SCHEMBL3646552 1.00 HRH3 (0.38) HRH3RECQLALDH1A1KDM4ETSHR
SCHEMBL3765550 0.91 HRH3 (0.42) HRH3RECQLALDH1A1KDM4EKMT2A
SCHEMBL4015142 0.91 HRH3 (0.42) HRH3RECQLALDH1A1KDM4EKMT2A
SCHEMBL4016670 0.90 RECQL (0.47) HRH3RECQLALDH1A1KDM4ETSHR
SCHEMBL3646804 0.90 RECQL (0.47) HRH3RECQLALDH1A1KDM4ETSHR
SCHEMBL4014044 0.89 RECQL (0.39) HRH3RECQLALDH1A1TSHRCYP2C19
SCHEMBL3640591 0.89 RECQL (0.39) HRH3RECQLALDH1A1TSHRCYP2C19
SCHEMBL3809495 0.88 HRH3 (0.39) HRH3KMT2AHRH1CCR3
SCHEMBL4015725 0.86 HRH3 (0.38) HRH3CYP2D6KMT2AHRH1CCR3
SCHEMBL3649083 0.86 HRH3 (0.39) HRH3CYP2D6KMT2AHRH1CCR3

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-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 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-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 HRH3 3/4885RECQL 1737/4885ALDH1A1 180/4885

“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.