SCHEMBL13952039

SCHEMBL13952039

O=C(Cc1ccc(F)cc1F)CC1CCN([C@H]2CN(S(=O)(=O)CC3CCCCC3)c3cc(F)ccc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.35
▸ HTR2C P28335 10/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL13952150 0.84 ALDH1A1 (0.45) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL13930773 0.69 OPRM1 (0.38) HTR2AHTR2CALDH1A1RORC
SCHEMBL1288294 0.60 IDO1 (0.48) SIGMAR1
SCHEMBL4611461 0.59 HSD17B10 (0.47) HTR2AHTR2CMEN1KMT2AKMO
SCHEMBL3956974 0.58 HDAC6 (0.58) HTR2AHTR2CMEN1NPC1RAB9A
SCHEMBL20767178 0.57 HTR2A (0.53) HTR2A
SCHEMBL24152364 0.57 KDM4E (0.47) HTR2AHTR2CNPC1RAB9AKCNH2
Hydrochloric Acid SCHEMBL2848820 0.56 KDM4E (0.42) HTR2AHTR2CRAB9AKCNH2SIGMAR1
SCHEMBL3733288 0.56 L3MBTL1 (0.49) HTR2AHTR2CSIGMAR1ALDH1A1GAA
SCHEMBL16191075 0.56 HTR2A (0.58) HTR2AHTR2CKCNH2DRD2

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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 HTR2A 1795/4885HTR2C 1838/4885MEN1 4563/4885

“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.

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