SCHEMBL4755518

SCHEMBL4755518

NCC1(CC(=O)O)C[C@H](Cc2ccccc2)[C@@H](Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GBA1 P04062 1/20 0.36
AKR1B1 P15121 1/20 0.36
SLC6A4 P31645 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL4755526 1.00 USP2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4755521 1.00 USP2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5445647 1.00 USP2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5433094 0.93 CYP2D6 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5443186 0.93 CYP2D6 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6845995 0.90 CYP3A4 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5436464 0.90 CYP3A4 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5437913 0.90 CYP3A4 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5432940 0.90 CYP3A4 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5434286 0.90 CYP3A4 (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US claimed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed
EP-1912936-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2008-04-23 EP disclosed
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY (US) 2007-12-20 US disclosed
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-11-29 US disclosed
US-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-09-13 US disclosed
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
WO-2007010387-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-25 WO disclosed
US-7141606-B2 Gabapentin analogues for sleep disorders WARNER-LAMBERT COMPANY (US) 2006-11-28 US disclosed
US-7122678-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2006-10-17 US disclosed
US-6921835-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT COMPANY (US) 2005-07-26 US disclosed
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN S (GB) 2005-07-21 US disclosed
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US disclosed
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 TAYLOR CHARLES PRICE (US) 2003-10-23 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 (7 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-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 CACNG2, GABRB2, CACNG4 USP2 1465/4885ALDH1A1 543/4885LMNA 3377/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 USP2 4327/4885ALDH1A1 268/4885LMNA 2350/4885
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 USP2 4204/4885ALDH1A1 3481/4885LMNA 2167/4885
US-20030212133-A1 Gabapentin analogues for sleep disorders GABRA1, SLC6A1, GABRB1 USP2 4432/4885ALDH1A1 757/4885LMNA 4085/4885

“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.