SCHEMBL860679

SCHEMBL860679

C[C@@H](N)Cc1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 5/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAOA P21397 2/20 0.46
SLC6A4 P31645 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL370333 0.76 MGLL (0.62) LMNAPOLBCA12CA1CA2
SCHEMBL15317853 0.75 FAAH (0.59) LMNAPOLBCA12CA1CA2
SCHEMBL22845011 0.75 LMNA (0.50) LMNAPOLBCA12CA1CA2
SCHEMBL11478927 0.74 CA12 (0.67) LMNAPOLBCA12CA1CA2
SCHEMBL10872752 0.74 TAAR1 (0.76) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL10872755 0.74 TAAR1 (0.76) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL18844320 0.71 KMT2A (0.60) LMNAPOLBCA12CA1CA2
SCHEMBL6140262 0.69 KMT2A (0.58) LMNAPOLBCA12CA1CA2
SCHEMBL27777300 0.69 ALDH1A1 (0.51) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL6140745 0.69 CA12 (0.59) LMNAPOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433655-A2 Homoarginine-prodrugs of amphetamine Kempharm, Inc. (US) 2012-03-28 EP disclosed
EP-2433654-A2 Citrulline and homocitrulline prodrugs of amphetamines and processes for making and using the same Kempharm, Inc. (US) 2012-03-28 EP disclosed
US-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2010-11-18 US disclosed
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US disclosed
US-7772222-B2 Polar hydrophilic prodrugs of amphetamine and other stimulants and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-10 US disclosed
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2009-09-24 US disclosed
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-28 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 (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-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 LMNA 3818/4885POLB 2851/4885TAAR1 34/4885
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 LMNA 3818/4885POLB 2851/4885TAAR1 34/4885
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC18A2, SLC6A19, SLC6A2 LMNA 4046/4885POLB 2995/4885TAAR1 72/4885
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 LMNA 3818/4885POLB 2851/4885TAAR1 34/4885

“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.