SCHEMBL16670770

SCHEMBL16670770

Nc1ccc(CCN2CCC(F)(F)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.40
ADORA2A P29274 1/20 0.39

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
SCHEMBL12281936 0.90 SIGMAR1 (0.55) SIGMAR1L3MBTL3ALDH1A1CYP1A2CYP3A4
SCHEMBL18068292 0.84 L3MBTL3 (0.41) SIGMAR1L3MBTL3HRH3
SCHEMBL16676687 0.84 L3MBTL3 (0.43) SIGMAR1L3MBTL3HRH3
SCHEMBL18069850 0.84 HRH3 (0.57) SIGMAR1L3MBTL3MAPTHRH3
SCHEMBL3400443 0.83 ALDH1A1 (0.53) ALDH1A1LMNAADORA2AHRH3
SCHEMBL1509544 0.77 KCNH2 (0.46) SIGMAR1
SCHEMBL4259787 0.76 ALDH1A1 (0.61) SIGMAR1ALDH1A1CYP3A4LMNAHRH3
SCHEMBL23291189 0.76 HRH3 (0.49) MAPTHRH3
SCHEMBL17838148 0.75 SIGMAR1 (0.44) SIGMAR1L3MBTL3TDP1HRH3
SCHEMBL13247626 0.74 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK SIGMAR1 4117/4885L3MBTL3 2574/4885ALDH1A1 4570/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK SIGMAR1 4117/4885L3MBTL3 2574/4885ALDH1A1 4570/4885

“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.