SCHEMBL3770922

SCHEMBL3770922

CC[C@H](N)c1ccc(F)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.45
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
SLC6A4 P31645 1/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL3940188 0.82 APLNR (0.41) APLNRHRH1KCNH2BRS3
SCHEMBL6856792 0.81 APLNR (0.46) APLNRHRH1KCNH2HDAC6
SCHEMBL1440344 0.81 APLNR (0.45) APLNRHRH1KCNH2HDAC6
SCHEMBL1440342 0.81 APLNR (0.45) APLNRHRH1KCNH2HDAC6
SCHEMBL1693712 0.80 APLNR (0.42) APLNRHRH1KCNH2HDAC6
SCHEMBL19523028 0.80 ESR1 (0.46) APLNRESR1ESR2HRH1KCNH2
Hydrochloric Acid SCHEMBL3020024 0.79 APLNR (0.44) APLNRHRH1KCNH2
Hydrochloric Acid SCHEMBL1693507 0.79 APLNR (0.44) APLNRHRH1KCNH2
Hydrochloric Acid SCHEMBL1693505 0.79 APLNR (0.44) APLNRHRH1KCNH2
Hydrochloric Acid SCHEMBL1439641 0.79 APLNR (0.44) APLNRHRH1KCNH2

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-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8486966-B2 9-(pyrazol-3-yl)-9H-purine-2-amine and 3-(pyrazol-3-yl) -3H-imidazo[4,5-B] pyridin-5-amine derivatives and their use for the treatment of cancer ASTRAZENECA AB (SE) 2013-07-16 US disclosed
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-12-23 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-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L APLNR 2611/4885ESR1 1316/4885ESR2 439/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L APLNR 2611/4885ESR1 1316/4885ESR2 439/4885
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, MPL, MCL1 APLNR 1418/4885ESR1 2786/4885ESR2 1693/4885

“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.