SCHEMBL15580316

SCHEMBL15580316

CCCNC(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL17319734 1.00 GGT1 (0.37) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL23948850 1.00 GGT1 (0.37) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1655757 0.90 GGT1 (0.39) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5309803 0.85 NOD1 (0.49) CA2MAPK1NOD1MAPTSMN1; SMN2
SCHEMBL4619523 0.84 TGFBR1 (0.44) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8063770 0.84 GGT1 (0.36) GGT1ADRA1ATDP1KDM4EMAPT
SCHEMBL4618889 0.84 TGFBR1 (0.44) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4620943 0.84 TGFBR1 (0.44) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8413851 0.84 CHRM1 (0.46) GGT1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL14420229 0.84 GGT1 (0.36) GGT1ADRA1ATDP1KDM4EMAPT

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
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11376250-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2022-07-05 US disclosed
US-20210322406-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-10-21 US disclosed
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 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-11376250-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A GGT1 1674/4885CHRM1 478/4885AKR1A1 1363/4885
US-20210322406-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GGT1 1674/4885CHRM1 478/4885AKR1A1 1363/4885

“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.