SCHEMBL1198433

SCHEMBL1198433

CC(C)(C)OC(=O)[C@@H]1C[C@H](C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
BTK Q06187 1/20 0.40
NR1H2 P55055 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTRA1 Q92743 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34
UCHL1 P09936 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL3194210 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL13481736 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL6121812 0.91 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL21430191 0.91 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL21527750 0.91 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL6121804 0.91 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL6186427 0.91 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL19853319 0.90 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL19853293 0.90 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL29015468 0.88 HSD17B10 (0.44) HSD17B10SMN1; SMN2BTKNR1H2CHRM2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902693-B2 Preparation method for pyrrolidine-2-carboxylic acid derivatives ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2018-02-27 US disclosed
US-20160145208-A1 Preparation method for pyrrolidine-2-carboxylic acid derivatives ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-26 US disclosed
US-20160145208-A1 Preparation method for pyrrolidine-2-carboxylic acid derivatives ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-26 US disclosed
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 US disclosed
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 US disclosed
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 US disclosed
EP-2196201-A2 Combination of an alpha-2-delta ligand with a pdev inhibitor or a muscarinic antagonist to treat lower urinary tract symptoms Warner-Lambert Company LLC (US) 2010-06-16 EP disclosed
EP-2196201-A2 Combination of an alpha-2-delta ligand with a pdev inhibitor or a muscarinic antagonist to treat lower urinary tract symptoms Warner-Lambert Company LLC (US) 2010-06-16 EP disclosed
EP-1558246-B1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LTD (GB) 2010-05-19 EP disclosed
EP-1558246-B1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LTD (GB) 2010-05-19 EP disclosed
EP-1572173-A1 ALPHA-2-DELTA LIGAND TO TREAT LOWER URINARY TRACT SYMPTOMS Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
US-20040180958-A1 Method of treatment PFIZER PRODUCTS INC. 2004-09-16 US disclosed
US-20040176456-A1 Method of treatment for sexual dysfunction TAYLOR CHARLES PRICE (US) 2004-09-09 US disclosed
US-20040143014-A1 Therapeutic use of alpha-2-delta ligands PFIZER INC 2004-07-22 US disclosed
US-20040132801-A1 Therapeutic proline derivatives RAWSON DAVID JAMES (GB) 2004-07-08 US disclosed
WO-2004054577-A1 ALPHA-2-DELTA LIGANDS TO TREAT OCD AND RELATED DISEASES WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
WO-2004054560-A1 ALPHA-2-DELTA LIGAND TO TREAT LOWER URINARY TRACT SYMPTOMS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
WO-2004054560-A1 ALPHA-2-DELTA LIGAND TO TREAT LOWER URINARY TRACT SYMPTOMS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
WO-2004054563-A1 ALPHA-2-DELTA LIGAND FOR THE TREATMENT OF SEXUAL DYSFUNCTION WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO 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 (6 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-20040176456-A1 Method of treatment for sexual dysfunction SHBG, CHRND, ADRB2 HSD17B10 1421/4885SMN1; SMN2 1150/4885BTK 4327/4885
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH GABRB2, GABRB3, GABRB1 HSD17B10 1151/4885SMN1; SMN2 3841/4885BTK 4664/4885
US-20040132801-A1 Therapeutic proline derivatives PRRC2C, SLC6A7, FAAH HSD17B10 1366/4885SMN1; SMN2 91/4885BTK 3535/4885
US-20160145208-A1 Preparation method for pyrrolidine-2-carboxylic acid derivatives PDHB, HPD, PYCR1 HSD17B10 950/4885SMN1; SMN2 2565/4885BTK 3835/4885
US-20040180958-A1 Method of treatment BPHL, ADRA2B, ADRB2 HSD17B10 620/4885SMN1; SMN2 3588/4885BTK 4827/4885
US-20040143014-A1 Therapeutic use of alpha-2-delta ligands CHRND, CHRNG, CHRNE HSD17B10 2473/4885SMN1; SMN2 4235/4885BTK 2759/4885

“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.