SCHEMBL2906775

SCHEMBL2906775

CN1CCC[C@@]1(C)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
PIK3CA P42336 5/20 0.33
PIK3CB P42338 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CG P48736 1/20 0.30

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
SCHEMBL19255876 1.00 PARP1 (0.34) PARP1PIK3CAPIK3CBUSP2ALDH1A1
SCHEMBL2712442 1.00 PARP1 (0.34) PARP1PIK3CAPIK3CBUSP2ALDH1A1
Hydrochloric Acid SCHEMBL14675869 0.98 PARP1 (0.33) PARP1PIK3CAPIK3CBUSP2ALDH1A1
Hydrochloric Acid SCHEMBL28060430 0.98 PARP1 (0.33) PARP1PIK3CAPIK3CBUSP2ALDH1A1
SCHEMBL19255950 0.94 ALDH1A1 (0.35) PARP1PIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL5271302 0.94 ALDH1A1 (0.35) PARP1PIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL19257658 0.86
SCHEMBL19257646 0.86
SCHEMBL12568351 0.80 TSHR (0.31) USP2TSHRNFKB1CYP2C19
SCHEMBL359077 0.80 FFAR3 (0.39) USP2TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008007930-A9 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2009-04-02 WO claimed
EP-2041120-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2009-04-01 EP claimed
WO-2008007930-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2008-01-17 WO claimed
EP-0316218-B1 L-PROLINE DERIVATIVES, THEIR PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF EKITA Investments N.V. (NA) 1993-09-15 EP claimed
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 WO disclosed
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 WO disclosed
WO-2013018929-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-07 WO disclosed
EP-2041120-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2009-04-01 EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP disclosed
WO-2008007930-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2008-01-17 WO disclosed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-0912572-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002437-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK PARP1 741/4885PIK3CA 131/4885PIK3CB 199/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C PARP1 4497/4885PIK3CA 3462/4885PIK3CB 3595/4885

“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.