SCHEMBL1613003

SCHEMBL1613003

O=C(O)[C@H]1CCC(=O)N1Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
HTT P42858 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
P2RX7 Q99572 6/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GYS1 P13807 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1613006 1.00 CYP2D6 (0.48) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL289842 0.84 P2RX7 (0.51) P2RX7SIGMAR1GYS1
SCHEMBL7217950 0.84 HTT (0.48) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL289410 0.84 P2RX7 (0.51) P2RX7SIGMAR1GYS1
SCHEMBL1613178 0.83 HTT (0.65) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL16601374 0.83 P2RX7 (0.59) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL289312 0.83 HTT (0.65) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL16601376 0.83 P2RX7 (0.59) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL19974980 0.83 P2RX7 (0.62) CYP2D6CYP2C19HTTCYP2C9CYP3A4
SCHEMBL30062891 0.83 P2RX7 (0.62) CYP2D6CYP2C19HTTCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
CN-105732581-A CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBVIE 公司 2016-07-06 CN disclosed
US-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-10 US disclosed
US-9051304-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US disclosed
CN-102933548-B Carboxamide compounds and their use as calpain inhibitors ABBOTT LAB 2015-03-11 CN disclosed
EP-2516393-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-10-29 EP disclosed
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV AbbVie Deutschland GmbH & Co. KG (DE) 2014-06-26 US disclosed
US-8598211-B2 Carboxamide compounds and their use as calpain inhibitors IV ABBVIE INC. (US) 2013-12-03 US disclosed
CN-102933548-A Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO KG 2013-02-13 CN disclosed
EP-2516415-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV Abbott GmbH & Co. KG (DE) 2012-10-31 EP disclosed
EP-2516393-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-10-31 EP disclosed
CN-102753541-A Carboxamide compounds and their use as calpain inhibitors iv ABBOTT GMBH & CO KG 2012-10-24 CN disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 US disclosed
WO-2011076812-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO disclosed
WO-2011076811-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO disclosed
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-23 US disclosed
US-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V ABBOTT GMBH & CO. KG (DE) 2011-06-23 US disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 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 (6 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-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPNS1 CYP2D6 2654/4885CYP2C19 3026/4885HTT 335/4885
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPNS1, CAPN1 CYP2D6 3608/4885CYP2C19 3650/4885HTT 824/4885
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPN1, CAPN9 CYP2D6 2686/4885CYP2C19 3007/4885HTT 528/4885
US-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPNS1 CYP2D6 2654/4885CYP2C19 3026/4885HTT 335/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CYP2D6 2751/4885CYP2C19 2606/4885HTT 408/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CYP2D6 2751/4885CYP2C19 2606/4885HTT 408/4885

“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.