SCHEMBL2069665

SCHEMBL2069665

Cc1cc(C)c(-c2cccc3c2c(=O)ccn3Cc2ccccc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
C5AR1 P21730 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
HTR6 P50406 2/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTR3A P46098 2/20 0.37
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2071240 0.83 C5AR1 (0.42) SMN1; SMN2TP53C5AR1MEN1KMT2A
SCHEMBL2070604 0.80 TP53 (0.40) TP53C5AR1KMT2AHPGDBRD4
SCHEMBL2070228 0.75 C5AR1 (0.44) SMN1; SMN2KDM4EC5AR1MEN1KMT2A
SCHEMBL2071263 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HTTTP53KDM4ECYP2D6
SCHEMBL2070803 0.71 C5AR1 (0.39) SMN1; SMN2HTTKDM4EC5AR1ALDH1A1
SCHEMBL2071363 0.71 RORC (0.38) SMN1; SMN2C5AR1ALDH1A1MAPK1HTR3A
SCHEMBL17111036 0.69 HTR6 (0.55) SMN1; SMN2HTTTP53KDM4ECYP2D6
SCHEMBL29696630 0.69 HTR6 (0.55) SMN1; SMN2HTTTP53KDM4ECYP2D6
SCHEMBL19910604 0.67 HTR6 (0.65) TP53CYP2D6MEN1KMT2AMAPK1
SCHEMBL2070698 0.66 KDM4E (0.40) TP53KDM4E

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 8 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
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-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US 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
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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 SMN1; SMN2 4009/4885HTT 3339/4885TP53 4425/4885

“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.