SCHEMBL2070757

SCHEMBL2070757

CCCC(CCC)NC=C(C(=O)OCC)C(=O)c1c(Br)ncn1-c1ccc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DHODH Q02127 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 4/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 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
SCHEMBL2070756 1.00 NPSR1 (0.38) NPSR1KDM4EMEN1KMT2ADHODH
SCHEMBL2070675 0.75 GABRG2 (0.46) MEN1KMT2ASMN1; SMN2POLBTP53
SCHEMBL2071032 0.74 MEN1 (0.45) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL2069197 0.69 KDM4E (0.47) NPSR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4656876 0.69 POLB (0.43) KDM4EMEN1KMT2ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL2070338 0.68 HCAR1 (0.44) NPSR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2071880 0.60 CYP11B2 (0.46) NPSR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2069678 0.59 HCAR1 (0.36) KDM4EMEN1KMT2APOLBTP53
SCHEMBL1052996 0.59 NPSR1 (0.33) NPSR1KDM4EMEN1KMT2ADHODH
SCHEMBL10861478 0.59 MEN1 (0.79) NPSR1KDM4EMEN1KMT2ADHODH

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 6 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
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO 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 NPSR1 37/4885KDM4E 3537/4885MEN1 860/4885

“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.