SCHEMBL19869968

SCHEMBL19869968

COc1cc(Br)ccc1CN1C[C@@H]2CC1CN2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.45
TLR7 Q9NYK1 2/20 0.45
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
LTA4H P09960 1/20 0.37
PYCR1 P32322 1/20 0.36
CCR5 P51681 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19869925 1.00 TRPV6 (0.45) TRPV6TLR7KDM4ETDP1CHRNB2
SCHEMBL24556440 1.00 TRPV6 (0.45) TRPV6TLR7KDM4ETDP1CHRNB2
SCHEMBL19869915 1.00 TRPV6 (0.45) TRPV6TLR7KDM4ETDP1CHRNB2
SCHEMBL24556578 1.00 TRPV6 (0.45) TRPV6TLR7KDM4ETDP1CHRNB2
Hydrochloric Acid SCHEMBL19857627 0.99 TRPV6 (0.44) TRPV6TLR7KDM4ETDP1CHRNB2
Hydrochloric Acid SCHEMBL19857668 0.99 TRPV6 (0.44) TRPV6TLR7KDM4ETDP1CHRNB2
Hydrochloric Acid SCHEMBL19857665 0.99 TRPV6 (0.44) TRPV6TLR7KDM4ETDP1CHRNB2
SCHEMBL3032912 0.81 TLR7 (0.44) TLR7MEN1ALDH1A1TSHRKMT2A
SCHEMBL31688136 0.81 TLR7 (0.44) TLR7MEN1ALDH1A1TSHRKMT2A
SCHEMBL24556470 0.78 TRPV6 (0.44) TRPV6TLR7KDM4ETDP1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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 (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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 TRPV6 3899/4885TLR7 2801/4885KDM4E 1154/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 TRPV6 3797/4885TLR7 2591/4885KDM4E 1262/4885

“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.