SCHEMBL778839

SCHEMBL778839

COc1ccc(C2CNCCN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 5/20 0.55
LHCGR P22888 1/20 0.55
CHRNA7 P36544 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KCNH2 Q12809 1/20 0.53
MAPT P10636 3/20 0.52
CCR1 P32246 1/20 0.48
FPR2 P25090 4/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4725610 0.85 P2RX7 (0.55) FPR1LHCGRSMN1; SMN2MAPTFPR2
SCHEMBL779917 0.84 CHRNA7 (0.72) CHRNA7KCNH2
SCHEMBL3939398 0.84 CHRNA7 (0.72) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779395 0.83 KCNH2 (0.72) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779636 0.83 KCNH2 (0.72) CHRNA7KCNH2
SCHEMBL16177977 0.80 CHRNA7 (0.58) CHRNA7SMN1; SMN2KCNH2MAPTALDH1A1
SCHEMBL7464685 0.80 USP19 (0.46) CHRNA7SMN1; SMN2KCNH2
SCHEMBL16163650 0.80 CHRNA7 (0.66) CHRNA7SMN1; SMN2KCNH2MAPT
SCHEMBL14833502 0.79 MMP1 (0.44) CHRNA7SMN1; SMN2KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL28230857 0.78 RAB9A (0.51) SMN1; SMN2KCNH2MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 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-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 FPR1 1142/4885LHCGR 1593/4885CHRNA7 1/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 FPR1 1044/4885LHCGR 2149/4885CHRNA7 1/4885

“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.