SCHEMBL20909018

SCHEMBL20909018

CCN[C@@H](C)CCc1ncc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 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
TMEM97 Q5BJF2 4/20 0.40
KCNH2 Q12809 3/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HRH4 Q9H3N8 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL19484268 0.79 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19480710 0.75 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19477233 0.75 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL21984718 0.75 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
Hydrochloric Acid SCHEMBL28378836 0.74 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
Hydrochloric Acid SCHEMBL28378834 0.74 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19479362 0.73 SIGMAR1 (0.40) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19479361 0.73 SIGMAR1 (0.40) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL24468425 0.70 PDE2A (0.44) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL31136292 0.70 PDE2A (0.44) SIGMAR1LMNAMAPTADRA2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392369-B2 N-[(pyrimidinyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-27 US disclosed
US-20190112295-A1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
US-9884854-B2 N-[(pyrimidinylamino)propanyl]-and N[(pyrazinylamino)proppanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-06 US disclosed
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GHBH (DE) 2017-10-19 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-10392369-B2 N-[(pyrimidinyloxy)propanyl]benzamides HCRTR1, HCRTR2, CNR1 SIGMAR1 91/4885LMNA 2187/4885MAPT 1607/4885
US-20190112295-A1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES HCRTR1, HCRTR2, CNR1 SIGMAR1 85/4885LMNA 2753/4885MAPT 1719/4885
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 SIGMAR1 176/4885LMNA 1241/4885MAPT 1644/4885

“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.