SCHEMBL15215644

SCHEMBL15215644

O=C(O)[C@]1(c2ccccc2)C[C@H](O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.59
ALOX15 P16050 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
HDAC4 P56524 3/20 0.44
KMT2A Q03164 3/20 0.44
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
MAOB P27338 1/20 0.43
HSD11B1 P28845 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL17222224 1.00 AKR1C1 (0.59) AKR1C1ALOX15OPRM1OPRL1HDAC4
SCHEMBL16111555 0.85 ALOX15 (0.59) AKR1C1ALOX15OPRM1OPRL1HDAC4
SCHEMBL15215646 0.84 ALOX15 (0.46) AKR1C1ALOX15OPRM1OPRL1HDAC4
SCHEMBL15215645 0.84 ALOX15 (0.46) AKR1C1ALOX15OPRM1OPRL1HDAC4
SCHEMBL349711 0.82 TET3 (0.48) OPRM1OPRL1HDAC4KMT2ATET3
SCHEMBL349710 0.82 TET3 (0.48) OPRM1OPRL1HDAC4KMT2ATET3
SCHEMBL15209466 0.82 HSD11B1 (0.47) AKR1C1KMT2AMAOBHSD11B1MEN1
SCHEMBL15209465 0.82 HSD11B1 (0.47) AKR1C1KMT2AMAOBHSD11B1MEN1
SCHEMBL14541574 0.82 TET3 (0.48) OPRM1OPRL1HDAC4KMT2ATET3
SCHEMBL1538400 0.82 AKR1C1 (0.40) AKR1C1ALOX15OPRM1OPRL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687459-B2 Aminocyclobutane derivatives, method for preparing same and the use thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2017-06-27 US disclosed
US-20170065543-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2017-03-09 US disclosed
US-9469601-B2 Aminocyclobutane derivatives, method for preparing same and the use thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2016-10-18 US disclosed
US-20150315132-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2015-11-05 US disclosed
US-20130225615-A1 2-CYCLOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 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-20150315132-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS GRIN1, GRIN3A, GRM1 AKR1C1 844/4885ALOX15 3568/4885OPRM1 52/4885
US-20130225615-A1 2-CYCLOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 AKR1C1 4664/4885ALOX15 2601/4885OPRM1 4228/4885
US-20170065543-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS GRIN1, GRIN3A, GRM1 AKR1C1 844/4885ALOX15 3568/4885OPRM1 52/4885

“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.