SCHEMBL27202076

SCHEMBL27202076

Cc1nnc(C(N)=O)c(N2CCNCC2)c1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR6 P50406 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
ACVR1 Q04771 1/20 0.38
OPRD1 P41143 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KAT2B Q92831 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL27202089 0.90 ALDH1A1 (0.50) ALDH1A1TSHRUSP2HSD17B10HTR6
SCHEMBL27202066 0.79 ALDH1A1 (0.51) ALDH1A1TSHRUSP2HSD17B10HTR6
SCHEMBL27202087 0.74 ALDH1A1 (0.54) ALDH1A1TSHRUSP2HSD17B10HTR6
SCHEMBL27202075 0.73 ALDH1A1 (0.47) ALDH1A1TSHRUSP2HSD17B10HTR6
SCHEMBL27206992 0.71 ADRB1 (0.38) ALDH1A1TSHRUSP2HSD17B10ACVR1
SCHEMBL27202080 0.71 ALDH1A1 (0.43) ALDH1A1TSHRUSP2HSD17B10HTR6
SCHEMBL27202056 0.70 ACVR1 (0.41) ACVR1IRAK4ADRB1
SCHEMBL27202055 0.70 HTR6 (0.50) ALDH1A1TSHRUSP2HSD17B10HTR6
SCHEMBL2486805 0.68 ALDH1A1 (0.47) ALDH1A1TSHRUSP2HSD17B10HTR6
Phenylpiperazine SCHEMBL29235064 0.68 TSHR (0.69) ALDH1A1TSHRUSP2HSD17B10HTR6

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF ALDH1A1 446/4885TSHR 3360/4885USP2 3092/4885

“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.