SCHEMBL19480710

SCHEMBL19480710

CCN[C@@H](C)COc1ncc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 6/20 0.34
GRIN1 Q05586 6/20 0.34
GRIN2B Q13224 6/20 0.34
POLB P06746 2/20 0.34
SCN9A Q15858 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL19479367 0.81 HPGD (0.47) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19484455 0.81 HPGD (0.47) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19480874 0.79 LMNA (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19480887 0.79 LMNA (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL21984718 0.75 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL20909018 0.75 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19477233 0.75 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
Hydrochloric Acid SCHEMBL28378834 0.74 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
Hydrochloric Acid SCHEMBL28378836 0.74 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL10264523 0.74 HPGD (0.46) RXRAGRIN1GRIN2BPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442965-B1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-05-26 EP disclosed
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
EP-3442967-B1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-13 EP disclosed
US-10392369-B2 N-[(pyrimidinyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-27 US disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
US-20190112295-A1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
WO-2017178338-A1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 WO disclosed
WO-2017178344-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 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 (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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 SIGMAR1 134/4885LMNA 3095/4885MAPT 1608/4885
US-10392369-B2 N-[(pyrimidinyloxy)propanyl]benzamides HCRTR1, HCRTR2, CNR1 SIGMAR1 91/4885LMNA 2187/4885MAPT 1607/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 SIGMAR1 206/4885LMNA 2934/4885MAPT 2092/4885
US-20190112295-A1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES HCRTR1, HCRTR2, CNR1 SIGMAR1 85/4885LMNA 2753/4885MAPT 1719/4885

“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.