SCHEMBL14087464

SCHEMBL14087464

Cc1ccc2c(c1)C1(CCCCO1)c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
HTR2B P41595 2/20 0.51
PDK2 Q15119 7/20 0.43
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL18649351 0.92 HTR7 (0.41) HTR7HTR2BPDK2ALDH1A1TSHR
SCHEMBL14087444 0.81 PDK2 (0.50) HTR7HTR2BPDK2ALDH1A1ELANE
SCHEMBL14087483 0.80 HTR7 (0.41) HTR7HTR2BPDK2ALDH1A1TSHR
SCHEMBL14087456 0.79 PDK2 (0.43) HTR7HTR2BPDK2ALDH1A1TSHR
SCHEMBL14087476 0.77 HTR7 (0.41) HTR7HTR2BPDK2
SCHEMBL29564942 0.73 HTR7 (0.41) HTR7HTR2BPDK2ALDH1A1
SCHEMBL15837189 0.73 HTR7 (0.41) HTR7HTR2BPDK2ALDH1A1
SCHEMBL15981946 0.73 PDK2 (0.39) HTR7HTR2BPDK2LMNAPOLB
SCHEMBL4911964 0.72 HTR7 (0.65) HTR7HTR2BPDK2ALDH1A1NPSR1
SCHEMBL2898481 0.71 PDK2 (0.38) PDK2ALDH1A1MEN1KMT2A

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-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 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 (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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A HTR7 2/4885HTR2B 1/4885PDK2 4410/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C HTR7 2/4885HTR2B 1/4885PDK2 4775/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B HTR7 1/4885HTR2B 4/4885PDK2 4110/4885

“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.