SCHEMBL22042895

SCHEMBL22042895

O=C(O)CCc1nc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.55
RXRB P28702 16/20 0.55
RXRG P48443 14/20 0.55
NR4A2 P43354 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ABCC4 O15439 1/20 0.55
C5 P01031 1/20 0.55
LMNA P02545 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
TBXA2R P21731 1/20 0.55
NR4A1 P22736 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL11336489 0.86 AKR1B1 (0.61) NR4A2KDM4EABCC4LMNATSHR
SCHEMBL4775028 0.82 NPC1 (0.68) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL4905806 0.81 LOXL2 (0.64) KDM4ECYP3A4HPGDCYP2C19AKR1B1
SCHEMBL27511631 0.81 GAA (0.56) KDM4ECYP3A4HPGDCYP2C19AKR1B1
SCHEMBL5396501 0.81 GAA (0.59) KDM4ECYP3A4HPGDCYP2C19AKR1B1
SCHEMBL11328951 0.81 GAA (0.63) KDM4ELMNACYP3A4HPGDCYP2C19
SCHEMBL24331721 0.80 MEN1 (0.61) RXRARXRBRXRGNR4A2LMNA
SCHEMBL5401038 0.78 GAA (0.59) KDM4ELMNACYP3A4HPGDCYP2C19
SCHEMBL22042996 0.78 GAA (0.59) KDM4ELMNACYP3A4HPGDCYP2C19
SCHEMBL5759355 0.78 GAA (0.59) KDM4ELMNACYP3A4HPGDCYP2C19

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
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-27 US disclosed
EP-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
WO-2020116971-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 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-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A RXRA 2644/4885RXRB 3066/4885RXRG 2950/4885

“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.