SCHEMBL13752131

SCHEMBL13752131

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
MAPK1 P28482 1/20 0.49
GRM5 P41594 1/20 0.42
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
P2RX3 P56373 2/20 0.38
HSD11B1 P28845 2/20 0.38

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
SCHEMBL13495538 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL15850937 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
Dimethylamine SCHEMBL8329501 0.96 KMT2A (0.57) KMT2AMAPK1GRM5CYP2D6ALDH1A1
Dimethylamine SCHEMBL8328294 0.96 KMT2A (0.57) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL3120067 0.87 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL6947425 0.87 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL5626616 0.87 KMT2A (0.63) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL4080893 0.87 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL4529849 0.87 KMT2A (0.63) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL7526086 0.87 KMT2A (0.59) KMT2AMAPK1GRM5CYP2D6ALDH1A1

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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 KMT2A 1327/4885MAPK1 519/4885GRM5 189/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 KMT2A 1829/4885MAPK1 917/4885GRM5 112/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 KMT2A 1327/4885MAPK1 519/4885GRM5 189/4885

“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.