SCHEMBL1222020

SCHEMBL1222020

OCC1(Cc2cccc(OC(F)(F)F)c2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.54
LMNA P02545 2/20 0.44
SLC6A2 P23975 6/20 0.43
CETP P11597 6/20 0.41
AKT2 P31751 1/20 0.41
DAO P14920 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PIM1 P11309 1/20 0.39
CHRM3 P20309 1/20 0.39

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 SCHEMBL7842574 0.99 TACR1 (0.53) TACR1LMNASLC6A2CETPAKT2
SCHEMBL12586089 0.82 TACR1 (0.56) TACR1SLC6A2CETPAKT2DAO
Hydrochloric Acid SCHEMBL7840218 0.76 TACR1 (0.48) TACR1LMNASLC6A2CETPAKT2
SCHEMBL7831549 0.76 LMNA (0.50) TACR1LMNA
Hydrochloric Acid SCHEMBL7831856 0.74 GAA (0.48) LMNASLC6A2
SCHEMBL1220833 0.74 GAA (0.48) LMNA
Hydrochloric Acid SCHEMBL28686967 0.73 GAA (0.47) LMNA
SCHEMBL8162240 0.72 TACR1 (0.45) TACR1LMNASLC6A2FFAR4CHRM3
SCHEMBL92907 0.72 CETP (0.55) CETPDAOCHRM3
SCHEMBL2274564 0.71 TACR1 (0.53) TACR1SLC6A2PIM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-02-24 US claimed
US-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
EP-2059506-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-05-20 EP disclosed
WO-2008025777-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-03-06 WO 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-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 TACR1 48/4885LMNA 4358/4885SLC6A2 3/4885

“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.