SCHEMBL22048859

SCHEMBL22048859

O=C1NCCc2nc(C3CC3)ncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
GRM5 P41594 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 3/20 0.36
OGA O60502 2/20 0.35
MAP4K1 Q92918 2/20 0.34
PARP1 P09874 2/20 0.34
PDPK1 O15530 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CDC7 O00311 3/20 0.33
PDE4B Q07343 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL951278 0.76 CDC7 (0.50) CDC7PDE4BCCNA2CDK2CDK9
SCHEMBL20779670 0.76 GRM5 (0.38) GRM5CYP1A2OGAPARP1PDPK1
SCHEMBL21633640 0.76 PARP10 (0.40) GRM5CYP1A2OGAPARP1PDPK1
SCHEMBL15880368 0.72 CCNA2 (0.39) GRM5CYP1A2OGAPARP1PDPK1
SCHEMBL2471711 0.72 GRM5 (0.38) HTR1ADRD2HTR2AGRM5CYP1A2
SCHEMBL23314219 0.72 MAP4K1 (0.38) HTR2AGRM5CYP1A2OGAMAP4K1
SCHEMBL3042595 0.72 CSNK1A1 (0.43) HTR1ADRD2HTR2AGRM5CYP1A2
SCHEMBL23119368 0.70 OGA (0.38) GRM5CYP1A2OGAMAP4K1PARP1
SCHEMBL23282512 0.69 OGA (0.48) CYP1A2OGAPARP1KDM4E
SCHEMBL25157539 0.68 GSK3B (0.47) MAPK1MAP4K1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008875-A1 SUBSTITUTED LACTAMS SHOWING SEROTONIN 5-HT RECEPTOR ACTIVITY Sumitomo Pharma Co., Ltd. (JP) 2023-01-12 US disclosed
EP-3828182-A1 FUSED RING LACTAM DERIVATIVES Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
US-10745401-B2 Condensed lactam derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-18 US disclosed
US-20200255432-A1 CONDENSED LACTAM DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-13 US disclosed
US-20200172543-A1 CONDENSED LACTAM DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-06-04 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 (4 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-20200255432-A1 CONDENSED LACTAM DERIVATIVE PSEN1, GRIN1, HDAC1 HTR1A 362/4885DRD2 430/4885HTR2A 947/4885
US-10745401-B2 Condensed lactam derivative PSEN1, GRIN1, HDAC1 HTR1A 362/4885DRD2 430/4885HTR2A 947/4885
US-20230008875-A1 SUBSTITUTED LACTAMS SHOWING SEROTONIN 5-HT RECEPTOR ACTIVITY HTR1A, HTR5A, TPH1 HTR1A 1/4885DRD2 59/4885HTR2A 10/4885
US-20200172543-A1 CONDENSED LACTAM DERIVATIVE PSEN1, GRIN1, HDAC1 HTR1A 362/4885DRD2 430/4885HTR2A 947/4885

“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.