SCHEMBL2070288

SCHEMBL2070288

CCCC(=O)Cc1cccc(-c2c(C)cc(C)cc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SHMT1 P34896 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PRNP P04156 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTR7 P34969 1/20 0.32
IAPP P10997 1/20 0.32
FFAR1 O14842 1/20 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
SCHEMBL4627831 0.89 LTB4R (0.33) CRHR1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2070847 0.76 NOS1 (0.40) CRHR1NOS1NOS2ALDH1A1MAPT
SCHEMBL25015240 0.73 NOS1 (0.40) CRHR1NOS1NOS2ALDH1A1MAPT
SCHEMBL2070175 0.73 LTB4R (0.34) CRHR1NOS1NOS2ALDH1A1MAPT
SCHEMBL2069540 0.72 CRHR1 (0.42) CRHR1HTR7
SCHEMBL2071875 0.72 HTR7 (0.36) CRHR1NOS1NOS2ALDH1A1MAPT
SCHEMBL3925681 0.72 BACE1 (0.39) ADORA1NOS1NOS2MAPTKDM4E
SCHEMBL3623211 0.72 CCR1 (0.42) CRHR1NOS1NOS2ALDH1A1MAPT
SCHEMBL4627833 0.71 LTB4R (0.34) ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4628817 0.70 HTR7 (0.33) CRHR1NOS1NOS2ALDH1A1MAPT

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 CRHR1 1/4885ADORA3 30/4885ADORA1 6/4885

“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.