SCHEMBL2070967

SCHEMBL2070967

O=c1c(CCl)nn(Cc2ccccc2)c2cccc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
SLC16A3 O15427 1/20 0.39
P2RX7 Q99572 4/20 0.39
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
P2RX4 Q99571 1/20 0.38
RORC P51449 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ESR1 P03372 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC9A1 P19634 1/20 0.37
GRM2 Q14416 1/20 0.37
HTR3A P46098 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
SCHEMBL2070392 0.88 SLC16A3 (0.41) SLC16A3P2RX7CNR1ACHECNR2
SCHEMBL2070225 0.82 KMT2A (0.48) P2RX7CA12CA9SLC22A12
SCHEMBL2072626 0.80 CYP2C9 (0.47) RORC
SCHEMBL2070803 0.78 C5AR1 (0.39) SLC16A3RORCHTR3A
SCHEMBL2069985 0.75 CYP1A2 (0.49) SLC16A3CCR4
SCHEMBL7002366 0.74 ESR1 (0.52) P2RX7CNR1ACHECNR2RORC
SCHEMBL29562238 0.73 CNR1 (0.56) RECQLSLC16A3CNR1ACHECNR2
SCHEMBL928072 0.73 CNR1 (0.56) RECQLSLC16A3CNR1ACHECNR2
SCHEMBL2071363 0.67 RORC (0.38) SLC16A3RORCHTR3ACCR4SLC22A12
SCHEMBL13241454 0.67 ABHD6 (0.43) CNR1ACHECNR2PDE4APDE4B

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 RECQL 1334/4885SLC16A3 2519/4885P2RX7 209/4885

“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.