SCHEMBL31464103

SCHEMBL31464103

CCOc1cccc(F)c1CN1CCN(C(=O)[C@H](N)C2CCN(CCc3ccccc3Cl)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 4/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 2/20 0.41
CACNA1G O43497 2/20 0.41
TP53 P04637 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
OPRM1 P35372 1/20 0.40

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
Hydrochloric Acid SCHEMBL27142912 0.99 ALDH1A1 (0.47) ALDH1A1TDP1ALOX15KDM4ETSHR
Hydrochloric Acid SCHEMBL27142909 0.99 ALDH1A1 (0.47) ALDH1A1TDP1ALOX15KDM4ETSHR
SCHEMBL31708922 0.93 KDM4E (0.45) ALDH1A1TDP1ALOX15KDM4ETSHR
SCHEMBL31709019 0.92 ALDH1A1 (0.42) ALDH1A1TDP1ALOX15KDM4ETSHR
SCHEMBL31709169 0.91 SIGMAR1 (0.48) ALDH1A1ALOX15KDM4EPOLBSMN1; SMN2
SCHEMBL31709274 0.91 KDM4E (0.43) ALDH1A1TDP1ALOX15KDM4ETSHR
SCHEMBL31708691 0.91 ALDH1A1 (0.41) ALDH1A1TDP1ALOX15KDM4ETSHR
SCHEMBL31709109 0.90 KDM4E (0.43) ALDH1A1TDP1ALOX15KDM4ETSHR
SCHEMBL31709223 0.90 ALDH1A1 (0.47) ALDH1A1TDP1ALOX15KDM4ETSHR
Hydrochloric Acid SCHEMBL31464144 0.90 ALDH1A1 (0.41) ALDH1A1TDP1ALOX15KDM4ETSHR

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-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN 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 ALDH1A1 774/4885TDP1 4092/4885ALOX15 1853/4885

“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.