SCHEMBL21788694

SCHEMBL21788694

Nc1cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
KCNH2 Q12809 4/20 0.47
HRH1 P35367 1/20 0.47
SCD5 Q86SK9 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47

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
SCHEMBL6179799 0.77 GABRP (0.59) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL94750 0.76 HRH3 (0.51) HRH3KCNH2HRH1SCD5P2RX7
SCHEMBL15988360 0.75 KMT2A (0.52) HRH3KCNH2HRH1SCD5P2RX7
SCHEMBL11625623 0.74 HRH3 (0.57) HRH3KCNH2HRH1P2RX7TSHR
SCHEMBL14858253 0.73 HPGD (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28226884 0.73 MEN1 (0.55) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL5338061 0.72 HPGD (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13197674 0.72 RORC (0.54) HRH3KCNH2HRH1SCD5P2RX7
SCHEMBL4318735 0.72 ALDH1A1 (0.42) MAPTALDH1A1
SCHEMBL18175986 0.70 PKM (0.55) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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 (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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA HRH3 2026/4885KCNH2 4840/4885HRH1 2392/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA HRH3 2026/4885KCNH2 4840/4885HRH1 2392/4885

“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.