SCHEMBL12490987

SCHEMBL12490987

O=C1CCN(c2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41

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
SCHEMBL27814281 0.81 HTT (0.58) FAAHNR1H4NOTUMLMNAMAPT
SCHEMBL17115053 0.80 FAAH (0.48) FAAHNR1H4NOTUMCYP2D6KCNH2
SCHEMBL12506166 0.78 GPR119 (0.51) FAAHNR1H4LMNARAB9AMAPT
SCHEMBL29040325 0.77 FAAH (0.47) FAAHLMNAMAPTHTTSMN1; SMN2
SCHEMBL17100583 0.75 CYP2D6 (0.71) LMNARAB9AMAPTCYP2D6KCNH2
SCHEMBL12490586 0.75 FAAH (0.47) FAAHNR1H4NOTUMACACBLMNA
SCHEMBL12490134 0.75 FAAH (0.47) FAAHNR1H4NOTUMLMNARAB9A
SCHEMBL17100669 0.75 CYP2D6 (0.49) FAAHLMNARAB9AMAPTCYP2D6
SCHEMBL796379 0.74 ALDH1A1 (0.39) LMNARAB9AMAPTCYP2D6NPC1
SCHEMBL4227209 0.72 NOTUM (0.44) FAAHNR1H4NOTUMLMNARAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686312-B1 N-CYCLOPROPYL-N-PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-08-31 — — EP disclosed
EP-2686312-B1 N-CYCLOPROPYL-N-PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-08-31 — — EP disclosed
EP-2718288-B1 SUBSTITUTED PIPERIDINES AS GPR119 MODULATORS FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-03-11 — — EP disclosed
EP-2718288-B1 SUBSTITUTED PIPERIDINES AS GPR119 MODULATORS FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-03-11 — — EP disclosed
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 — — US disclosed
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 — — US disclosed
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 — — US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 — — US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 — — US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 — — US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 — — US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 — — US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 — — US disclosed
WO-2012168315-A1 SUBSTITUTED PIPERIDINES AS GPR119 MODULATORS FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 — — WO disclosed
WO-2012168315-A1 SUBSTITUTED PIPERIDINES AS GPR119 MODULATORS FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 — — WO disclosed
WO-2012123449-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 — — WO disclosed
WO-2012123449-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 — — 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 (2 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-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 FAAH 1052/4885NR1H4 169/4885NOTUM 4211/4885
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPBAR1, TACR1 FAAH 520/4885NR1H4 95/4885NOTUM 3385/4885

“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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