SCHEMBL7763250

SCHEMBL7763250

COC(=O)[C@@H]1CCC[C@H]1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4500362 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL596961 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL22103542 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL25602753 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL31621964 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL6256125 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL1144485 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL596960 0.98 CHRM2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29424947 0.98 CHRM2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL596962 0.98 CHRM2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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
EP-3452461-B1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-09-08 EP disclosed
US-20010018422-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT 2001-08-30 US disclosed
EP-1093460-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-04-25 EP disclosed
WO-2000002906-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-01-20 WO disclosed
US-5985837-A CELL GROWTH INHIBITOR PEPTIDES; TREATING CANCER IN A MAMMAL BASF AKTIENGESELLSCHAFT (DE) 1999-11-16 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 (1 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-20010018422-A1 Dolastatin 15 derivatives SLCO2B1, SLCO2A1, DDOST CHRM2 4802/4885CHRM4 4823/4885CHRM3 4705/4885

“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.