SCHEMBL10130223

SCHEMBL10130223

CCCCN1CC[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 2/20 0.46
▸ GNAO1 P09471 2/20 0.46
▸ GNAI1 P63096 2/20 0.46
▸ GLB1 P16278 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD5 P21918 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SIGMAR1 Q99720 9/20 0.43
▸ EBP Q15125 1/20 0.42

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
SCHEMBL76763 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1GLB1GBA1
SCHEMBL10130235 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1GLB1GBA1
Fluoride SCHEMBL30330296 0.98 GNAI3 (0.44) GNAI3GNAO1GNAI1GLB1GBA1
Hydrochloric Acid SCHEMBL19469324 0.98 GNAI3 (0.48) GNAI3GNAO1GNAI1GLB1GBA1
Bromide SCHEMBL2808112 0.98 GNAI3 (0.44) GNAI3GNAO1GNAI1GLB1GBA1
Cyanide SCHEMBL30212723 0.94 GNAI3 (0.42) GNAI3GNAO1GNAI1GLB1GBA1
SCHEMBL10130526 0.94 GNAO1 (0.53) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL14197717 0.94 GNAO1 (0.53) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL10130234 0.94 GNAO1 (0.53) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL15363082 0.92 GNAO1 (0.56) GNAI3GNAO1GNAI1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150284-A2 QUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-10 — — WO disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 — — US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 — — US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 — — US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 — — US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 — — US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 — — US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 — — EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 GNAI3 567/4885GNAO1 56/4885GNAI1 304/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 GNAI3 1673/4885GNAO1 641/4885GNAI1 1260/4885

“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.

Send feedback