SCHEMBL14074136

SCHEMBL14074136

CCc1n[nH]c(CC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
HCAR2 Q8TDS4 3/20 0.33
HCAR3 P49019 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RX7 Q99572 1/20 0.31
PTGS2 P35354 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30

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
SCHEMBL27634200 0.81 KCNH2 (0.47) KCNH2HCAR2HCAR3P2RX7
SCHEMBL25436967 0.77 GAA (0.37) KCNH2
SCHEMBL27538531 0.76 KCNH2 (0.44) KCNH2HCAR2HCAR3P2RX7
SCHEMBL17164752 0.68 KCNH2 (0.37) KCNH2HCAR2HCAR3P2RX7
SCHEMBL8943452 0.68 KCNH2 (0.37) KCNH2HCAR2HCAR3P2RX7
SCHEMBL5752138 0.68 KCNH2 (0.37) KCNH2HCAR2HCAR3P2RX7
SCHEMBL4109180 0.67 KCNH2 (0.75) KCNH2
SCHEMBL5898715 0.65 KCNH2 (0.35) KCNH2HCAR2HCAR3
SCHEMBL16657588 0.65 KCNH2 (0.35) KCNH2HCAR2HCAR3
Hydrochloric Acid SCHEMBL5616504 0.64 KCNH2 (0.34) KCNH2HCAR2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 KCNH2 378/4885HCAR2 381/4885HCAR3 63/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 KCNH2 262/4885HCAR2 643/4885HCAR3 96/4885

“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.