SCHEMBL13745268

SCHEMBL13745268

CC(C)N1CCC(CCC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
KCNH2 Q12809 2/20 0.42
MAPT P10636 1/20 0.41
CYP2D6 P10635 1/20 0.40
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
ALDH1A1 P00352 1/20 0.38
F2R P25116 2/20 0.37
ACE P12821 2/20 0.37
REN P00797 1/20 0.37
HTR4 Q13639 1/20 0.37

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
Hydrochloric Acid SCHEMBL2942156 0.98 HRH3 (0.41) HRH3KCNH2MAPTCYP2D6ITGB3
SCHEMBL13515798 0.86 MAPT (0.40) MAPTITGB3ITGA2BF2RACE
SCHEMBL13282365 0.85 HRH3 (0.41) HRH3KCNH2CYP2D6ALDH1A1HTR4
SCHEMBL13254062 0.84 HRH3 (0.40) HRH3KCNH2CYP2D6ALDH1A1HTR4
SCHEMBL1261174 0.81 HRH3 (0.44) HRH3KCNH2CYP2D6ITGB3ITGA2B
SCHEMBL13515791 0.81 SMN1; SMN2 (0.40) HRH3KCNH2CYP2D6ALDH1A1HTR4
SCHEMBL25122685 0.80 HRH3 (0.50) HRH3KCNH2CYP2D6HTR4
Hydrochloric Acid SCHEMBL2942000 0.79 HRH3 (0.43) HRH3KCNH2CYP2D6ITGB3ITGA2B
SCHEMBL19992870 0.79 HTR4 (0.41) HRH3KCNH2CYP2D6ALDH1A1HTR4
SCHEMBL13999390 0.79 HRH3 (0.39) HRH3KCNH2MAPTCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2019-01-22 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
CN-100345853-C Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2007-10-31 CN 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-10183944-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885MAPT 4490/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 HRH3 689/4885KCNH2 1056/4885MAPT 4681/4885

“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.