SCHEMBL20201256

SCHEMBL20201256

Cc1cn2c(C(C)C)cccc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 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
SCHEMBL25054992 0.81 ADORA3 (0.36) NPSR1KMT2AGAAALDH1A1ADORA3
SCHEMBL7947747 0.76 GAA (0.50) KMT2AGAAALDH1A1KDM4EHTT
SCHEMBL25305429 0.76 RAB9A (0.40) KMT2AGAAALDH1A1ADORA2AKDM4E
SCHEMBL21816403 0.75 TGFBR1 (0.44) KMT2AGAAALDH1A1KDM4EHTT
SCHEMBL15004560 0.74 GAA (0.39) NPSR1KMT2AGAAALDH1A1ADORA3
SCHEMBL15004601 0.73 RAB9A (0.38) NPSR1KMT2AGAAALDH1A1ADORA3
SCHEMBL8373773 0.73 ALDH1A1 (0.40) NPSR1KMT2AGAAALDH1A1ADORA3
SCHEMBL8811947 0.73 KMT2A (0.39) NPSR1KMT2AGAAALDH1A1ADORA3
SCHEMBL3448499 0.73 PDE10A (0.41) KMT2AGAAALDH1A1ADORA3ADORA2A
SCHEMBL542463 0.73 NPC1 (0.37) NPSR1KMT2AGAAALDH1A1ADORA3

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-11578084-B2 Condensed ring compounds having dopamine D3 receptor antagonistic effect SHIONOGI & CO., LTD. (JP) 2023-02-14 US disclosed
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-11 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 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 (2 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-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 NPSR1 34/4885KMT2A 1433/4885GAA 4530/4885
US-11578084-B2 Condensed ring compounds having dopamine D3 receptor antagonistic effect DRD3, DRD2, DRD1 NPSR1 34/4885KMT2A 1433/4885GAA 4530/4885

“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.