SCHEMBL3087666

SCHEMBL3087666

CC(C)(C)OC(=O)N1CCC(CNc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
PKM P14618 1/20 0.70
TGFBR1 P36897 5/20 0.62
GPR119 Q8TDV5 1/20 0.60
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
GRIN2B Q13224 2/20 0.57
BRD4 O60885 2/20 0.56
LIMK2 P53671 1/20 0.54
STS P08842 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM1A O60341 1/20 0.53
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52

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
SCHEMBL5867964 0.89 KDM4E (0.70) KDM4EPKMTGFBR1GPR119BRD4
SCHEMBL3083337 0.88 KDM4E (0.58) KDM4EPKMTGFBR1GPR119STS
SCHEMBL12258638 0.88 KDM4E (0.58) KDM4EPKMTGFBR1GPR119PTPN2
SCHEMBL6148442 0.88 CYP2D6 (0.64) KDM4EPKMTGFBR1GPR119CYP2D6
SCHEMBL15539667 0.88 FPR2 (0.61) KDM4EPKMTGFBR1GPR119PTPN2
SCHEMBL31747355 0.87 KDM4E (0.64) KDM4EPKMTGFBR1GPR119LIMK2
SCHEMBL5870674 0.87 NAMPT (0.62) KDM4EPKMTGFBR1GPR119BRD4
SCHEMBL3032509 0.86 TGFBR1 (0.56) KDM4EPKMTGFBR1GPR119STS
SCHEMBL18664141 0.86 TGFBR1 (0.56) KDM4EPKMTGFBR1GPR119
SCHEMBL5871116 0.85 ACKR3 (0.67) KDM4EPKMTGFBR1GPR119KDM1A

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 7 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 disclosed
US-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-09-16 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
EP-1987001-B1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-05-05 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
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 US disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 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 (3 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-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRL1, OPRM1, OPRK1 KDM4E 622/4885PKM 1707/4885TGFBR1 2010/4885
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 KDM4E 2526/4885PKM 1199/4885TGFBR1 2425/4885
US-20100298380-A1 N-ARYL-N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THIER USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A4 KDM4E 681/4885PKM 1042/4885TGFBR1 3389/4885

“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.