SCHEMBL25857102

SCHEMBL25857102

O=C(NCC1(Nc2nc(Cl)ncc2Br)CCCCC1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
TSHR P16473 2/20 0.39
FSHR P23945 2/20 0.39
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRB2 P07550 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL4549856 0.99 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSTSHR
SCHEMBL21967075 0.83 KMT2A (0.34) P2RX7MEN1KMT2ALMNA
SCHEMBL21967065 0.82 MEN1 (0.34) P2RX7MEN1KMT2ALMNA
SCHEMBL2724465 0.81 STK17B (0.47) P2RX7MEN1KMT2AMAPKAPK2
SCHEMBL25857100 0.80 CTSS (0.38) ALDH1A1CTSLCTSBCTSSTSHR
SCHEMBL2726118 0.80 STK17B (0.48) P2RX7MEN1KMT2AMAPKAPK2
SCHEMBL15249204 0.79 CTSS (0.36) ALDH1A1CTSLCTSBCTSSTSHR
SCHEMBL1284434 0.77 SIRT5 (0.50) P2RX7LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL16057286 0.77 HTT (0.50) LMNASMN1; SMN2HTTL3MBTL1KEAP1
SCHEMBL5149463 0.76 TGM2 (0.50) LMNASMN1; SMN2HTTL3MBTL1KEAP1

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-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one G1 THERAPEUTICS, INC. (US) 2023-07-25 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-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one NDC1, SDC1, SDC2 ALDH1A1 723/4885CTSL 2364/4885CTSB 3921/4885

“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.