SCHEMBL568134

SCHEMBL568134

CC1(CO)CCCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
POLB P06746 1/20 0.58
CYP2D6 P10635 9/20 0.54
TSHR P16473 6/20 0.52
KDM4E B2RXH2 2/20 0.51
CYP3A4 P08684 5/20 0.50
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL568133 1.00 ALDH1A1 (0.58) ALDH1A1POLBCYP2D6TSHRKDM4E
SCHEMBL16684766 0.91 OPRL1 (0.51) ALDH1A1POLBCYP2D6TSHRCYP3A4
SCHEMBL27793529 0.86 CYP2D6 (0.55) ALDH1A1POLBCYP2D6TSHRCYP3A4
SCHEMBL28911881 0.84 ALDH1A1 (0.68) ALDH1A1POLBCYP2D6KDM4ELMNA
SCHEMBL6378751 0.81 CYP2D6 (0.57) ALDH1A1POLBCYP2D6TSHRCYP3A4
SCHEMBL2284694 0.81 CYP2D6 (0.59) ALDH1A1CYP2D6TSHRCYP3A4GAA
SCHEMBL1269135 0.81 OPRL1 (0.58) ALDH1A1POLBCYP2D6TSHRKDM4E
SCHEMBL29017338 0.81 ALDH1A1 (0.79) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL6377977 0.80 CYP2D6 (0.55) ALDH1A1POLBCYP2D6TSHRKDM4E
SCHEMBL30889332 0.79 CYP2D6 (0.54) ALDH1A1POLBCYP2D6TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176252-B1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORP (FI) 2014-09-03 EP disclosed
US-8809536-B2 2,3-dihydrobenzo[1,4] dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-08-19 US disclosed
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORPORATION (FI) 2014-06-26 US disclosed
US-8697723-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-04-15 US disclosed
US-20130281486-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORP (FI) 2013-10-24 US disclosed
US-8492549-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous systeme diseases ORION CORPORATION (FI) 2013-07-23 US disclosed
US-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2012-02-09 US disclosed
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-08-26 US disclosed
EP-2176252-A1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-04-21 EP disclosed
WO-2009013390-A1 2, 3-DIHYDROBENZO[1, 4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2009-01-29 WO 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 (4 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-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C ALDH1A1 1519/4885POLB 2903/4885CYP2D6 1436/4885
US-20130281486-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES PMP22, NPY2R, ADRA2C ALDH1A1 1368/4885POLB 3003/4885CYP2D6 1297/4885
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES PMP22, NPY2R, ADRA2C ALDH1A1 1363/4885POLB 2986/4885CYP2D6 1259/4885
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C ALDH1A1 1519/4885POLB 2903/4885CYP2D6 1436/4885

“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.