SCHEMBL5577360

SCHEMBL5577360

Cc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(F)cc4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC1 Q13547 2/20 0.53
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM1 P11229 2/20 0.52
HTR2A P28223 2/20 0.52
SLC6A12 P48065 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CHRM4 P08173 2/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
SSTR3 P32745 1/20 0.49

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
SCHEMBL5577622 0.94 MEN1 (0.60) MCHR1MEN1KMT2AHDAC1OPRM1
SCHEMBL5577650 0.89 MEN1 (0.62) MCHR1MEN1KMT2AHDAC1OPRM1
SCHEMBL5577864 0.89 ALDH1A1 (0.52) MCHR1MEN1KMT2AHDAC1CYP2D6
SCHEMBL5577832 0.88 TSHR (0.66) MCHR1MEN1KMT2AHDAC1CHRM4
SCHEMBL5577675 0.88 TSHR (0.66) MCHR1MEN1KMT2AHDAC1CHRM4
SCHEMBL5577876 0.88 ALDH1A1 (0.65) MCHR1MEN1KMT2AHDAC1OPRM1
SCHEMBL5577873 0.85 DRD2 (0.53) MEN1KMT2AKCNH2
SCHEMBL5577316 0.84 DRD2 (0.64) MCHR1MEN1KMT2AHDAC1KCNH2
SCHEMBL5577516 0.84 ALDH1A1 (0.66) MCHR1KMT2A
SCHEMBL29869413 0.84 MEN1 (0.54) MCHR1MEN1KMT2ASIGMAR1CHRM4

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 MCHR1 4381/4885MEN1 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.