SCHEMBL3435247

SCHEMBL3435247

CC12CC3CC(C1)CC(C#N)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CNR2 P34972 1/20 0.33
LMNA P02545 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ESR1 P03372 1/20 0.31
ADRB3 P13945 1/20 0.31
ACHE P22303 1/20 0.31
OPRK1 P41145 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL14641099 0.84 PGR (0.32) CNR2PGR
SCHEMBL4035450 0.80 GRIN1 (0.46) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL4037506 0.80 GRIN1 (0.41) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL733849 0.75 GRIN1 (0.48) TSHRLMNAGRIN1GRIN2ASLC22A1
SCHEMBL3190483 0.75 GRIN1 (0.48) TSHRLMNAGRIN1GRIN2ASLC22A1
SCHEMBL5805814 0.74 GRIN1 (0.48) TSHRLMNAGRIN1GRIN2ASLC22A1
SCHEMBL16290409 0.74 PKM (0.47)
SCHEMBL7111803 0.74 MEN1 (0.31)
SCHEMBL7105940 0.74 THRB (0.38) CNR2
SCHEMBL4034053 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2023-10-05 US disclosed
EP-4209494-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF Fujian Akeylink Biotechnology Co., Ltd. (CN) 2023-07-12 EP disclosed
US-11681222-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2023-06-20 US disclosed
US-20220137508-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2022-05-05 US disclosed
US-20210278764-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2021-09-09 US disclosed
US-11036133-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2021-06-15 US disclosed
US-20200124961-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2020-04-23 US disclosed
US-10620534-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2020-04-14 US disclosed
US-20190278175-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2019-09-12 US disclosed
EP-2003148-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2009-04-22 EP disclosed
EP-2003148-A2 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-12-17 EP disclosed
US-20080081293-A1 Salt suitable for an acid generator and a chemically amplified positive resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-04-03 US disclosed
US-20080081293-A1 Salt suitable for an acid generator and a chemically amplified positive resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-04-03 US disclosed
EP-1602975-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-12-07 EP disclosed
US-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission VERNALIS RESEARCH LIMITED 2003-07-10 US disclosed
US-6500866-B1 PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS BY ADMINISTERING N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST OR PRODRUGS SUCH AS 3,5-DIMETHYL-1-ADAMANTANECARBOXIMIDAMIDE HYDROCHLORIDE VERNALIS RESEARCH LIMITED (GB) 2002-12-31 US disclosed
EP-1037874-B1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2002-10-09 EP disclosed
EP-1037874-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-09-27 EP disclosed
WO-1999031051-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-06-24 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 (3 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-20080081293-A1 Salt suitable for an acid generator and a chemically amplified positive resist composition containing the same HCN3, HCN1, NHERF1 TSHR 618/4885CNR2 230/4885LMNA 641/4885
US-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF VIP, PREP, PRAP1 TSHR 3278/4885CNR2 4778/4885LMNA 4450/4885
US-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission SLC1A2, GRIN1, GRM1 TSHR 888/4885CNR2 174/4885LMNA 3819/4885

“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.