SCHEMBL12836588

SCHEMBL12836588

NC(=O)CC1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.59
SLC6A3 Q01959 7/20 0.59
SLC6A2 P23975 2/20 0.50
HSD11B1 P28845 6/20 0.49
HDAC4 P56524 1/20 0.46
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 2/20 0.43
P2RX7 Q99572 1/20 0.41

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
SCHEMBL12836593 0.98 SLC6A3 (0.62) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4
SCHEMBL12836587 0.97 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4
SCHEMBL12883227 0.93 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4
SCHEMBL19226580 0.85 DRD2 (0.51) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4
SCHEMBL3633468 0.84 HSD11B1 (0.68) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4
SCHEMBL16565619 0.83 P2RX7 (0.53) SLC6A4SLC6A3ALDH1A1P2RX7
SCHEMBL21078137 0.83 SLC6A4 (0.41) SLC6A4SLC6A3HSD11B1ALDH1A1EPHX2
SCHEMBL15863359 0.83 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4
SCHEMBL15873720 0.83 HSD11B1 (0.49) SLC6A4SLC6A3HSD11B1ALDH1A1P2RX7
SCHEMBL10694536 0.83 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2HSD11B1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 EP disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
US-9206143-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-08 US disclosed
WO-2011034849-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMED PHARMA, INC. (US) 2011-03-24 WO disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
WO-2009117515-A2 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2009-09-24 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 (5 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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 SLC6A4 288/4885SLC6A3 167/4885SLC6A2 278/4885
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 SLC6A4 149/4885SLC6A3 59/4885SLC6A2 105/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 SLC6A4 288/4885SLC6A3 167/4885SLC6A2 278/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA SLC6A4 305/4885SLC6A3 163/4885SLC6A2 273/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 SLC6A4 133/4885SLC6A3 76/4885SLC6A2 113/4885

“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.