SCHEMBL2947846

SCHEMBL2947846

CC(NCC(O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP3A4 P08684 4/20 0.63
CYP1A2 P05177 2/20 0.63
ADRB3 P13945 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
PTPN5 P54829 1/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
KCNH2 Q12809 4/20 0.41
ANPEP P15144 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2948761 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL29930592 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2951193 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2948565 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2948561 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2948760 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2951196 1.00 CYP2D6 (1.00) CYP2D6MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL30529824 0.99 CYP2D6 (0.98) CYP2D6MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8976027 0.89 KMT2A (0.81) CYP2D6MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8976126 0.89 KMT2A (0.81) CYP2D6MEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767174-A1 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1997-04-09 EP claimed
US-7749985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2010-07-06 US disclosed
US-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2009-11-19 US disclosed
US-7585996-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-09-08 US disclosed
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2008-06-19 US disclosed
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 WO disclosed
EP-0767174-A1 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1997-04-09 EP disclosed
US-5500418-A ANTIEPILEPTIC CIBA-GEIGY CORPORATION (US) 1996-03-19 US disclosed
US-5376684-A Aminobutyric acid antagonist; antiepileptic agent CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
EP-0543780-A2 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1993-05-26 EP 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-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, NAPEPLD, AASDHPPT CYP2D6 306/4885MEN1 2553/4885KMT2A 999/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CYP2D6 306/4885MEN1 2553/4885KMT2A 999/4885

“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.