SCHEMBL689113

SCHEMBL689113

CCN(CC)CC(O)CN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GABRR1 P24046 3/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.33
ACHE P22303 1/20 0.33
ABCB1 P08183 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7718222 1.00 TSHR (0.39) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL17677168 0.95 TSHR (0.35) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL14619487 0.86 PLA2G1B (0.35) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL28966747 0.84 CYP1A2 (0.42) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL29046390 0.84 CYP1A2 (0.42) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL1147342 0.83 TSHR (0.44) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL7530841 0.83 GABRR1 (0.39) TSHRGABRR1GABBR2GABBR1LMNA
SCHEMBL9054773 0.83 GABRR1 (0.39) TSHRGABRR1GABBR2GABBR1LMNA
SCHEMBL9345722 0.81 TSHR (0.32) TSHRNPY1RNPY2RL3MBTL1PLA2G1B
SCHEMBL8601781 0.79 GABRR1 (0.34) TSHRGABRR1GABBR2GABBR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP claimed
EP-1370554-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2003-12-17 EP claimed
US-6653308-B2 Anticancer agents; antidiabetic agents; antiinflammatory agents SUGEN, INC. 2003-11-25 US claimed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO claimed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US claimed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US claimed
EP-0512879-B2 Cosmetic composition containing odour-free alkalizing agent OREAL (FR) 2003-06-04 EP claimed
WO-2002066463-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2002-08-29 WO claimed
US-5628991-A Cosmetic composition containing a diaminoalkane as an odorless alkalifying agent L'OREAL (FR) 1997-05-13 US claimed
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US disclosed
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 WO disclosed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-4112105-A Anti-inflammatory 3-(substituted-amino)-2,1-benzisothiazoles STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4055393-A TEXTILE FINISHING CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-4038233-A AQUEOUS RESIN COMPOSITION CONTAINING POLYMERS OR COPOLYMERS OF ETHYLENICALLY UNSATURATED MONOMERS AND A WATER-SOLUBLE CATIONIC POLYELECTROLYTE POLYMER JOHNSON & JOHNSON (US) 1977-07-26 US disclosed
US-3997538-A BACTERICIDE MORTON-NORWICH PRODUCTS, INC. (US) 1976-12-14 US disclosed
US-3992366-A FOR CROSSLINKING PHOTOGRAPHIC GELATINS CIBA-GEIGY AG (CH) 1976-11-16 US disclosed
US-3979405-A HYPOLIPEMIC AND HYPOCHOLESTERIC AGENTS GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1976-09-07 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 (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-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS TARDBP, TDP1, TDP2 TSHR 4276/4885NPY1R 3710/4885NPY2R 4325/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 TSHR 3115/4885NPY1R 3462/4885NPY2R 3323/4885

“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.