SCHEMBL2695236

SCHEMBL2695236

CCCc1cc(C#N)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MPO P05164 2/20 0.41
HRH4 Q9H3N8 2/20 0.40
CYP2A6 P11509 1/20 0.39
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
PDGFRB P09619 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
SCHEMBL13894587 0.85 FFAR1 (0.49) MEN1KMT2AHRH4CYP2A6TSHR
SCHEMBL2693282 0.85 CYP2A6 (0.47) MPOCYP2A6HSD11B1FFAR1FFAR4
SCHEMBL30693081 0.85 CYP2A6 (0.47) MPOCYP2A6HSD11B1FFAR1FFAR4
SCHEMBL7448700 0.81 MPO (0.41) MPOHSD11B1FFAR1FFAR4SLC6A4
SCHEMBL27792318 0.81 MPO (0.41) MPOHSD11B1FFAR1FFAR4SLC6A4
SCHEMBL27522309 0.81 MPO (0.41) MPOHSD11B1FFAR1FFAR4SLC6A4
SCHEMBL26948215 0.81 SLC6A4 (0.40) MEN1KMT2AMPOCYP2A6HSD11B1
SCHEMBL14291553 0.79 CYP2A6 (0.45) MEN1KMT2AHRH4CYP2A6TSHR
SCHEMBL12663273 0.79 CYP2A6 (0.45) MEN1KMT2AHRH4CYP2A6TSHR
SCHEMBL18179299 0.79 MEN1 (0.44) MEN1KMT2AHRH4CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 3478/4885KMT2A 2897/4885MPO 1556/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 3478/4885KMT2A 2897/4885MPO 1556/4885

“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.