SCHEMBL5577873

SCHEMBL5577873

O=C(NCc1ccc(C2CCN(Cc3ccc(F)cc3)C2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.51
CCR2 P41597 3/20 0.51
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CCR1 P32246 1/20 0.50

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
SCHEMBL5577381 0.89 CHRM3 (0.53) DRD2MEN1KMT2ACCR2
SCHEMBL5577360 0.85 MCHR1 (0.60) MEN1KMT2AKCNH2
SCHEMBL5577695 0.84 CCR2 (0.52) DRD2MEN1KMT2ACCR2
SCHEMBL5577353 0.84 CHRM3 (0.56) DRD2MEN1KMT2ACCR2
SCHEMBL5577457 0.83 KCNH2 (0.51) MEN1KMT2ACCR2KCNH2HRH3
SCHEMBL5577315 0.83 GAA (0.57) POLBKCNH2
SCHEMBL5577864 0.82 ALDH1A1 (0.52) MEN1KMT2AKCNH2HRH3
SCHEMBL5577369 0.82 MAPT (0.57) MEN1KMT2ACCR2KCNH2HRH3
SCHEMBL5577358 0.81 DRD2 (0.46) DRD2MEN1KMT2ACCR2KCNH2
SCHEMBL5577923 0.81 HTR2C (0.46) DRD2MEN1KMT2ACCR2KCNH2

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C DRD2 4468/4885MEN1 748/4885KMT2A 3527/4885

“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.