SCHEMBL25930907

SCHEMBL25930907

COCC(=O)N(I)C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.33
TACR1 P25103 6/20 0.33
SLC6A2 P23975 9/20 0.33
SLC6A3 Q01959 7/20 0.33
CYP2D6 P10635 3/20 0.33
KCNH2 Q12809 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL1088743 0.81 ALDH1A1 (0.40) SLC6A4TACR1SLC6A2KCNH2NPSR1
SCHEMBL8003405 0.77 KMT2A (0.43) SLC6A4SLC6A2SLC6A3KCNH2NPSR1
SCHEMBL30419169 0.76 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL30419218 0.76 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL30419208 0.76 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8989455 0.71 TACR1 (0.49) SLC6A4TACR1SLC6A2SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL10977825 0.70 TACR1 (0.48) SLC6A4TACR1SLC6A2SLC6A3CYP2D6
SCHEMBL13251749 0.68 GABRP (0.46) SLC6A4SLC6A2CYP2D6NPSR1GABRP
SCHEMBL25934391 0.67 POLB (0.39)
SCHEMBL29855502 0.66 RAB9A (0.37) NPSR1GABRPGABRDGABRA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS SLC6A4 4862/4885TACR1 4044/4885SLC6A2 4809/4885

“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.