SCHEMBL2310030

SCHEMBL2310030

CC(=O)N1CCc2ccc(C#N)cc2CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
DRD2 P14416 6/20 0.48
DRD3 P35462 5/20 0.48
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PNMT P11086 1/20 0.45
CYP2D6 P10635 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C1 Q04828 1/20 0.44
HSD17B3 P37058 1/20 0.43
DRD4 P21917 1/20 0.43
OPRM1 P35372 1/20 0.43
SPR P35270 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL10163702 0.91 NOTUM (0.58) NOTUMDRD2DRD3MAPTHRH3
SCHEMBL20720388 0.86 AKR1C3 (0.48) DRD2DRD3MEN1MAPTPNMT
SCHEMBL29338248 0.81 MAPT (0.46) DRD2DRD3MEN1MAPTPNMT
SCHEMBL1791230 0.81 ESR1 (0.55) DRD2DRD3MAPTPNMTAKR1C3
SCHEMBL2123156 0.80 ESR2 (0.57) DRD2MAPTALK
SCHEMBL29040775 0.80 AKR1C3 (0.52) DRD2DRD3MEN1MAPTAKR1C3
SCHEMBL28369820 0.80 AKR1C3 (0.52) DRD2DRD3MAPTPNMTAKR1C3
SCHEMBL26161470 0.80 DRD2 (0.59) DRD2DRD3HRH3PNMTDRD4
SCHEMBL23552440 0.79 NAMPT (0.51) DRD2DRD3MEN1MAPTAKR1C3
SCHEMBL7843303 0.79 NAMPT (0.54) DRD2DRD3MAPTCYP2D6AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 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 (5 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885DRD2 3577/4885DRD3 3340/4885
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 NOTUM 4552/4885DRD2 2/4885DRD3 1/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOTUM 4102/4885DRD2 3577/4885DRD3 3340/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4156/4885DRD2 3466/4885DRD3 3198/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOTUM 4102/4885DRD2 3577/4885DRD3 3340/4885

“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.