SCHEMBL11990444

SCHEMBL11990444

COC(=O)C[C@@H]1CCCCN1B(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.33
▸ FKBP1A P62942 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FHIT P49789 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL11990399 1.00 EPHX2 (0.33) EPHX2FKBP1ATP53BRD4L3MBTL1
SCHEMBL11990409 0.95 L3MBTL1 (0.35) BRD4L3MBTL1SMN1; SMN2FHIT
SCHEMBL11990384 0.89 BRD4 (0.35) BRD4L3MBTL1SMN1; SMN2CYP3A4MAPT
SCHEMBL24872393 0.77 CYP1A2 (0.44) BRD4DRD1HRH2HTR2AHTR2C
SCHEMBL25970252 0.77 L3MBTL1 (0.35) L3MBTL1
SCHEMBL11990465 0.76 — —
SCHEMBL92937 0.76 EPHX2 (0.36) EPHX2FKBP1ABRD4SMN1; SMN2DRD1
SCHEMBL11990411 0.76 — —
SCHEMBL3035722 0.74 L3MBTL1 (0.38) FKBP1AL3MBTL1ATMMAPT
SCHEMBL1779547 0.74 L3MBTL1 (0.38) FKBP1AL3MBTL1ATMMAPT

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-9375423-B2 Use of aminoindane compounds in treating overactive bladder and interstitial cystitis ASANA BIOSCIENCES, LLC (US) 2016-06-28 — — US disclosed
US-20150290182-A1 USE OF AMINOINDANE COMPOUNDS IN TREATING OVERACTIVE BLADDER AND INTERSTITIAL CYSTITIS ASANA BIOSCIENCES, LLC (US) 2015-10-15 — — US disclosed
US-9044482-B2 Use of aminoindane compounds in treating overactive bladder and interstitial cystitis ASANA BIOSCIENCES, LLC (US) 2015-06-02 — — US disclosed
US-8865741-B2 Aminoindane compounds and use thereof in treating pain ASANA BIOSCIENCES, LLC (US) 2014-10-21 — — US disclosed
US-20140051702-A1 Use of Aminoindane Compounds in Treating Overactive Bladder and Interstitial Cystitis ENDO PHARMACEUTICALS INC. (US) 2014-02-20 — — US disclosed
US-20120214809-A1 Aminoindane Compounds and Use Thereof in Treating Pain Libertas Bio, Inc. 2012-08-23 — — 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-20120214809-A1 Aminoindane Compounds and Use Thereof in Treating Pain TRPA1, TRPV1, TRPV2 EPHX2 2831/4885FKBP1A 946/4885TP53 3899/4885
US-20140051702-A1 Use of Aminoindane Compounds in Treating Overactive Bladder and Interstitial Cystitis IDO1, IDO2, SLC1A2 EPHX2 1663/4885FKBP1A 1055/4885TP53 4634/4885
US-20150290182-A1 USE OF AMINOINDANE COMPOUNDS IN TREATING OVERACTIVE BLADDER AND INTERSTITIAL CYSTITIS IDO1, IDO2, SLC1A2 EPHX2 1663/4885FKBP1A 1055/4885TP53 4634/4885

“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.

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