SCHEMBL4091431

SCHEMBL4091431

COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C(=O)C4(C)CC4)c23)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.57
NNMT P40261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL3750699 0.87 CRHR1 (0.60) CRHR1NNMTKDM4EMEN1ALDH1A1
SCHEMBL3753972 0.85 CRHR1 (0.57) CRHR1NNMTKDM4EMEN1ALDH1A1
SCHEMBL3751391 0.80 CRHR1 (0.64) CRHR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL3753893 0.80 CRHR1 (0.62) CRHR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL16162066 0.77 CRHR1 (0.63) CRHR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL16162207 0.77 CRHR1 (0.61) CRHR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL16162068 0.77 CRHR1 (0.61) CRHR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL3724782 0.77 CRHR1 (0.68) CRHR1
SCHEMBL16162117 0.76 CRHR1 (0.62) CRHR1
SCHEMBL3746635 0.76 CRHR1 (0.62) CRHR1KDM4EMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 CRHR1 1/4885NNMT 2499/4885KDM4E 2435/4885

“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.