SCHEMBL12893503

SCHEMBL12893503

CON=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(N(C)c3ccncc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.48
MAPT P10636 1/20 0.47
CCR5 P51681 2/20 0.46
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL12893645 0.89 MGLL (0.50) MGLLMAPTCYP3A4MEN1KMT2A
SCHEMBL12919544 0.86 MGLL (0.47) MGLLMAPTCYP3A4MEN1KMT2A
SCHEMBL12893655 0.85 MGLL (0.49) MGLLMAPTCCR5MEN1KMT2A
SCHEMBL12893501 0.84 MGLL (0.68) MGLLMEN1KMT2AHSD11B1KDM4E
SCHEMBL14467272 0.83 MGLL (0.52) MGLLMAPTCYP3A4MEN1KMT2A
SCHEMBL12893511 0.77 AKR1C3 (0.46) MGLLMAPTCYP3A4MEN1KMT2A
SCHEMBL13391460 0.77 CYP3A4 (0.54) MAPTCYP3A4KDM4E
SCHEMBL14355764 0.77 CYP3A4 (0.54) MAPTCYP3A4KDM4E
SCHEMBL13391090 0.77 LSS (0.50) CYP3A4KDM4EAKR1C3
SCHEMBL13391433 0.77 CYP3A4 (0.54) MAPTCYP3A4KDM4E

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-7879880-B2 such as [4-[(2-aminopyridin-4-yl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylamino)phenyl]methanone, used for the treatment of inflammatory diseases, allergic conditions, diabetes, obesity, metabolic syndrome, cognition disorder, cardiovascular and nervous system disorders SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists SCHERING CORPORATION 2007-06-21 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-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists HRH3, CHRM2, HCRTR2 MGLL 414/4885MAPT 1609/4885CCR5 1190/4885

“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.