SCHEMBL31709019

SCHEMBL31709019

CCOc1cccc(F)c1CN1CCN(C(=O)[C@H](N)C2CCN(CCc3cc(-c4ccccc4)ccc3Cl)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SSTR5 P35346 6/20 0.39
KCNH2 Q12809 2/20 0.39
HTR7 P34969 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
OPRM1 P35372 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 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
SCHEMBL31464103 0.92 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1KDM4EPOLB
Hydrochloric Acid SCHEMBL27142912 0.91 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1KDM4EPOLB
Hydrochloric Acid SCHEMBL27142909 0.91 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1KDM4EPOLB
SCHEMBL27149840 0.90 ALDH1A1 (0.42) ALDH1A1ALOX15TDP1KDM4EPOLB
SCHEMBL27149842 0.90 ALDH1A1 (0.42) ALDH1A1ALOX15TDP1KDM4EPOLB
SCHEMBL31464019 0.88 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1KDM4EPOLB
SCHEMBL31708691 0.87 ALDH1A1 (0.41) ALDH1A1ALOX15TDP1KDM4EPOLB
Hydrochloric Acid SCHEMBL31464067 0.87 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1KDM4EPOLB
Hydrochloric Acid SCHEMBL27139895 0.87 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1KDM4EPOLB
Hydrochloric Acid SCHEMBL27139892 0.87 ALDH1A1 (0.39) ALDH1A1ALOX15TDP1KDM4EPOLB

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 ALDH1A1 774/4885ALOX15 1853/4885TDP1 4092/4885

“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.