SCHEMBL2071875

SCHEMBL2071875

CCCOCc1cccc(-c2c(C)cc(C)cc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.36
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CRHR1 P34998 8/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 1/20 0.31

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
SCHEMBL4628817 0.94 HTR7 (0.33) HTR7NOS1NOS2CRHR1GPBAR1
SCHEMBL25015240 0.75 NOS1 (0.40) HTR7NOS1NOS2CRHR1ALDH1A1
SCHEMBL2070847 0.75 NOS1 (0.40) HTR7NOS1NOS2CRHR1ALDH1A1
SCHEMBL2069540 0.74 CRHR1 (0.42) HTR7CRHR1
SCHEMBL3623211 0.74 CCR1 (0.42) HTR7NOS1NOS2CRHR1ALDH1A1
SCHEMBL2070175 0.72 LTB4R (0.34) HTR7NOS1NOS2CRHR1ALDH1A1
SCHEMBL2070288 0.72 CRHR1 (0.36) HTR7NOS1NOS2CRHR1ALDH1A1
SCHEMBL31655443 0.72 CCR1 (0.46) HTR7NOS1NOS2CRHR1ALDH1A1
SCHEMBL2070002 0.72 IRAK4 (0.44) HTR7NOS1NOS2CRHR1LMNA
SCHEMBL20436609 0.70 KCNH2 (0.39) NOS1GPBAR1CYSLTR1LMNA

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
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R HTR7 89/4885NOS1 1353/4885NOS2 1630/4885

“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.