SCHEMBL31709359

SCHEMBL31709359

CCOc1cccc(/C=C/c2nnn[nH]2)c1CN1CCN(C(=O)[C@H](N)C2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34

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
SCHEMBL31708812 0.88 CHRM3 (0.35) CHRM3ALDH1A1NPC1RAB9AALPL
SCHEMBL31708859 0.86 CHRM3 (0.43) CHRM3ALDH1A1KDM4E
SCHEMBL31709174 0.82 CHRM3 (0.46) CHRM3ALDH1A1POLBGAAKDM4E
SCHEMBL27140995 0.81 KDM4E (0.38) CHRM3ALDH1A1GAAKDM4ETDP1
SCHEMBL27140992 0.81 KDM4E (0.38) CHRM3ALDH1A1GAAKDM4ETDP1
SCHEMBL31709210 0.79 MAPT (0.52) CHRM3ALDH1A1POLBGAAKDM4E
SCHEMBL31709126 0.77 CHRM3 (0.44) CHRM3
Bromide SCHEMBL31464137 0.76 CHRM3 (0.44) CHRM3
SCHEMBL31709129 0.76 ALDH1A1 (0.39) CHRM3ALDH1A1POLBKDM4ETDP1
SCHEMBL31708764 0.75 HTR2A (0.47) CHRM3ALDH1A1POLBGAAKDM4E

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-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 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-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 CHRM3 4846/4885ALDH1A1 774/4885NPC1 217/4885

“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.