SCHEMBL21987948

SCHEMBL21987948

Cn1cnc2c1C(=O)NCCC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
CYP11B2 P19099 9/20 0.41
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.34
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
TSHR P16473 1/20 0.33
OR51E2 Q9H255 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
SCHEMBL24328585 0.75 DRD4 (0.51) DRD4CYP11B2
SCHEMBL21030280 0.67 GDA (0.33) ALDH1A1TSHR
SCHEMBL21678829 0.67 DRD2 (0.43) DRD4CYP11B2ALDH1A1HTR1ADRD2
SCHEMBL21678165 0.66 CDC7 (0.40) HTR1ADRD2HTR2A
SCHEMBL20011085 0.66 GDA (0.32) ALDH1A1TSHR
SCHEMBL22476540 0.64
SCHEMBL21363443 0.63 SRC (0.38)
SCHEMBL8309980 0.63 MAP2K1 (0.37) ALDH1A1TSHROR51E2
SCHEMBL2402912 0.62 DRD4 (0.41) DRD4ALDH1A1TSHR
SCHEMBL13326541 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424195-B Fused lactam derivatives 住友制药株式会社 2025-03-25 CN disclosed
US-20250084090-A1 SUBSTITUTED LACTAMS SHOWING SEROTONIN 5-HT RECEPTOR ACTIVITY Sumitomo Pharma Co., Ltd. (JP) 2025-03-13 US disclosed
US-12180213-B2 Substituted pyrazoles showing serotonin 5-HT receptor activity SUMITOMO PHARMA CO. LTD. (JP) 2024-12-31 US disclosed
US-20230008875-A1 SUBSTITUTED LACTAMS SHOWING SEROTONIN 5-HT RECEPTOR ACTIVITY Sumitomo Pharma Co., Ltd. (JP) 2023-01-12 US disclosed
US-11466007-B2 Substituted lactams showing serotonin 5-HT receptor activity Sumitomo Pharma Co., Ltd. (JP) 2022-10-11 US disclosed
EP-3828182-A1 FUSED RING LACTAM DERIVATIVES Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
CN-112424195-A Condensed lactam derivatives 大日本住友制药株式会社 2021-02-26 CN disclosed
US-10745401-B2 Condensed lactam derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-18 US 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-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
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 (7 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 DRD4 729/4885CYP11B2 536/4885ALDH1A1 858/4885
US-20250084090-A1 SUBSTITUTED LACTAMS SHOWING SEROTONIN 5-HT RECEPTOR ACTIVITY HTR1A, HTR5A, TPH1 DRD4 126/4885CYP11B2 1438/4885ALDH1A1 973/4885
US-12180213-B2 Substituted pyrazoles showing serotonin 5-HT receptor activity HTR5A, HTR1A, TPH1 DRD4 197/4885CYP11B2 321/4885ALDH1A1 753/4885
US-10745401-B2 Condensed lactam derivative PSEN1, GRIN1, HDAC1 DRD4 729/4885CYP11B2 536/4885ALDH1A1 858/4885
US-11466007-B2 Substituted lactams showing serotonin 5-HT receptor activity HTR1A, HTR5A, TPH1 DRD4 126/4885CYP11B2 1438/4885ALDH1A1 973/4885
US-20230008875-A1 SUBSTITUTED LACTAMS SHOWING SEROTONIN 5-HT RECEPTOR ACTIVITY HTR1A, HTR5A, TPH1 DRD4 126/4885CYP11B2 1438/4885ALDH1A1 973/4885
US-20200172543-A1 CONDENSED LACTAM DERIVATIVE PSEN1, GRIN1, HDAC1 DRD4 729/4885CYP11B2 536/4885ALDH1A1 858/4885

“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.