SCHEMBL2300261

SCHEMBL2300261

c1ccc(-c2cnn(C3CCNCC3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.66
CHRNA4 P43681 2/20 0.66
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP3A5 P20815 2/20 0.60
CYP3A7 P24462 2/20 0.60
CYP2C19 P33261 2/20 0.60
PDK4 Q16654 2/20 0.60
CYP3A43 Q9HB55 2/20 0.60
MAP4K3 Q8IVH8 6/20 0.58
IRAK4 Q9NWZ3 2/20 0.57
ALK Q9UM73 3/20 0.56
NTRK1 P04629 1/20 0.56
MAP3K7 O43318 1/20 0.55
TAB1 Q15750 1/20 0.55
MET P08581 1/20 0.55
JAK2 O60674 1/20 0.54
GRK5 P34947 1/20 0.53
IRAK1 P51617 1/20 0.53

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
Tert-Butyl Formate SCHEMBL27812249 0.86 CHRNB2 (0.53) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL30113065 0.85 PIM1 (0.64) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL10040495 0.84 ALK (0.59) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL14320710 0.84 PIM1 (0.54) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL15942449 0.84 MAP4K3 (0.58) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL3126749 0.84 ALK (0.59) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
Hydrochloric Acid SCHEMBL20135201 0.83 ALK (0.58) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL2299419 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5
SCHEMBL14638436 0.81 ALK (0.65) CHRNB2CHRNA4MAP4K3IRAK4ALK
SCHEMBL15324788 0.81 IRAK4 (0.52) CHRNB2CHRNA4CYP1A2CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2731942-B1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
EP-2731942-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS Novartis AG (CH) 2014-05-21 EP disclosed
CN-103781776-A Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG 2014-05-07 CN disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
WO-2013012723-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-24 WO disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 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 (4 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 CHRNB2 2185/4885CHRNA4 449/4885CYP1A2 741/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 CHRNB2 4878/4885CHRNA4 4883/4885CYP1A2 119/4885
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS WNT1, TNKS1BP1, TNKS CHRNB2 4550/4885CHRNA4 4726/4885CYP1A2 893/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I CHRNB2 208/4885CHRNA4 139/4885CYP1A2 2472/4885

“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.