SCHEMBL3689703

SCHEMBL3689703

C=C(C)n1c(=O)n(CCN2CCC(CN(C(C)=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.67
OPRM1 P35372 3/20 0.67
CNR2 P34972 6/20 0.41
CCR5 P51681 4/20 0.40
UTS2R Q9UKP6 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 3/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3757785 0.93 OPRM1 (0.69) TACR1OPRM1CNR2CCR5GAA
SCHEMBL3650479 0.90 TACR1 (0.66) TACR1OPRM1CNR2CCR5MEN1
SCHEMBL8568874 0.86 OPRM1 (0.81) TACR1OPRM1CNR2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL8569084 0.85 OPRM1 (0.80) TACR1OPRM1CNR2MEN1KMT2A
SCHEMBL3757984 0.83 OPRM1 (0.76) TACR1OPRM1CNR2CCR5MEN1
SCHEMBL8564833 0.82 OPRM1 (0.83) TACR1OPRM1
SCHEMBL8569082 0.81 OPRM1 (0.79) TACR1OPRM1CNR2CCR5MEN1
SCHEMBL8569779 0.81 OPRM1 (0.77) TACR1OPRM1MEN1KMT2A
Phthalimide SCHEMBL8831756 0.80 OPRM1 (0.73) TACR1OPRM1CNR2MEN1KMT2A
SCHEMBL3764460 0.80 OPRM1 (0.65) TACR1OPRM1ACHE

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-20100298380-A1 N-ARYL-N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THIER USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-11-25 US claimed
US-20100298380-A1 N-ARYL-N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THIER USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-11-25 US disclosed
EP-2183240-A2 N-ARYL-N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch AS (DK) 2010-05-12 EP disclosed
WO-2009016215-A2 N-ARYL-N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-02-05 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-20100298380-A1 N-ARYL-N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THIER USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A4 TACR1 83/4885OPRM1 124/4885CNR2 114/4885

“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.