SCHEMBL624643

SCHEMBL624643

O=C(O)CC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.63
ALDH1A1 P00352 1/20 0.58
EPHX2 P34913 2/20 0.53
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
SLC6A2 P23975 2/20 0.47
HDAC4 P56524 1/20 0.44
CNR1 P21554 1/20 0.43
CYP2C8 P10632 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 1/20 0.42
TSHR P16473 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
SCHEMBL3633468 0.96 HSD11B1 (0.68) HSD11B1ALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL7177946 0.93 ALDH1A1 (0.61) HSD11B1ALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL5363393 0.85 ALDH1A1 (0.66) HSD11B1ALDH1A1L3MBTL1TSHR
SCHEMBL21214447 0.85 ALDH1A1 (0.55) HSD11B1ALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL12836587 0.84 SLC6A4 (0.54) HSD11B1ALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL11104354 0.84 SLC6A4 (0.50) HSD11B1ALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL625584 0.83 HSD11B1 (0.64) HSD11B1ALDH1A1EPHX2SLC6A4SLC6A3
SCHEMBL16565616 0.82 ALDH1A1 (0.56) HSD11B1ALDH1A1EPHX2
SCHEMBL627571 0.82 HSD11B1 (0.90) HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL14525408 0.82 HSD11B1 (0.63) HSD11B1ALDH1A1EPHX2L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-4629727-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1986-12-16 US disclosed
EP-0111994-B1 (1-ARYLCYCLOBUTYL) ALKYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS The Boots Company PLC (GB) 1986-02-26 EP disclosed
EP-0111994-A1 (1-Arylcyclobutyl) alkylamine derivatives, their preparation and their use as therapeutic agents The Boots Company PLC (GB) 1984-06-27 EP disclosed
US-4443449-A Arylcyclobutylalkylamines and anti-depression composition and methods using same THE BOOTS COMPANY LIMITED (GB) 1984-04-17 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 (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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 HSD11B1 2616/4885ALDH1A1 2560/4885EPHX2 2519/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 HSD11B1 721/4885ALDH1A1 873/4885EPHX2 1367/4885

“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.